SCHEMBL872773

SCHEMBL872773

Cc1sc(NC(=O)[C@@H](N)CC(=O)OC(C)(C)C)c(C(=O)c2ccc(Cl)cc2)c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.49
▸ ALDH1A1 P00352 9/20 0.49
▸ MAPT P10636 7/20 0.49
▸ LMNA P02545 4/20 0.49
▸ HPGD P15428 7/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ PLA2G1B P04054 1/20 0.45
▸ ATG4B Q9Y4P1 1/20 0.45
▸ NPSR1 Q6W5P4 3/20 0.44
▸ HTT P42858 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ GRIN2C Q14957 2/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ TP53 P04637 2/20 0.41
▸ XBP1 P17861 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL872772 1.00 BRD4 (0.49) BRD4ALDH1A1MAPTLMNAHPGD
SCHEMBL18591884 0.91 ALDH1A1 (0.44) BRD4ALDH1A1MAPTLMNAHPGD
SCHEMBL30411459 0.89 ALDH1A1 (0.53) BRD4ALDH1A1MAPTLMNAHPGD
SCHEMBL31498654 0.88 MAPT (0.40) BRD4ALDH1A1MAPTLMNAHPGD
SCHEMBL30869908 0.86 BRD4 (0.38) BRD4ALDH1A1MAPTLMNAHPGD
SCHEMBL23728786 0.85 ALDH1A1 (0.55) ALDH1A1MAPTLMNAHPGDMAPK1
SCHEMBL19136021 0.85 ALDH1A1 (0.55) ALDH1A1MAPTLMNAHPGDMAPK1
SCHEMBL15281425 0.85 ALDH1A1 (0.55) ALDH1A1MAPTLMNAHPGDMAPK1
SCHEMBL24500208 0.85 ALDH1A1 (0.48) BRD4ALDH1A1MAPTLMNAHPGD
SCHEMBL29424177 0.85 MAPT (0.39) BRD4ALDH1A1MAPTLMNAHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230263893-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BROMODOMAIN-CONTAINING PROTEINS ARVINAS OPERATIONS, INC. 2023-08-24 — — US disclosed
US-20220177490-A1 COMPOUNDS HAVING BOTH EFFECTS OF BET BROMODOMAIN PROTEIN INHIBITION AND PD-L1 GENE REGULATION MEDSHINE DISCOVERY INC. (CN) 2022-06-09 — — US disclosed
US-10925881-B2 Treatment of conditions associated with hyperinsulinaemia TENSHA THERAPEUTICS, INC. (US) 2021-02-23 — — US disclosed
US-10676484-B2 Compositions and methods for treating leukemia DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-06-09 — — US disclosed
US-20200148702-A1 COMPOSITIONS AND METHODS FOR TREATING NEOPLASIA, INFLAMMATORY DISEASE AND OTHER DISORDERS DANA FARBER CANCER INST INC (US) 2020-05-14 — — US disclosed
US-10407441-B2 Compositions and methods for treating neoplasia, inflammatory disease and other disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-09-10 — — US disclosed
EP-2569434-B1 COMPOSITIONS AND METHODS FOR TREATING LEUKEMIA AND RELATED DISORDERS DANA FARBER CANCER INST INC (US) 2019-09-04 — — EP disclosed
US-20180237454-A1 COMPOSITIONS AND METHODS FOR TREATING NEOPLASIA, INFLAMMATORY DISEASE AND OTHER DISORDERS DANA-FARBER CANCER INSTITUTE, INC. 2018-08-23 — — US disclosed
US-20180222917-A1 COMPOSITIONS AND METHODS FOR TREATING LEUKEMIA COLD SPRING HARBOR LABORATORY 2018-08-09 — — US disclosed
US-20180222917-A1 COMPOSITIONS AND METHODS FOR TREATING LEUKEMIA COLD SPRING HARBOR LABORATORY 2018-08-09 — — US disclosed
US-20130252331-A1 COMPOSITIONS AND METHODS FOR MODULATING METABOLISM NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-09-26 — — US disclosed
US-20130210813-A1 Male Contraceptive Compositions and Methods of Use DANA-FARBER CANCER INSTITUTE, INC. 2013-08-15 — — US disclosed
US-20130210813-A1 Male Contraceptive Compositions and Methods of Use DANA-FARBER CANCER INSTITUTE, INC. 2013-08-15 — — US disclosed
US-20130184264-A1 Compositions And Methods For Treating Neoplasia, Inflammatory Disease And Other Disorders NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-07-18 — — US disclosed
EP-2571875-A1 MALE CONTRACEPTIVE COMPOSITIONS AND METHODS OF USE Dana-Farber Cancer Institute, Inc. (US) 2013-03-27 — — EP disclosed
EP-2571503-A2 COMPOSITIONS AND METHODS FOR TREATING NEOPLASIA, INFLAMMATORY DISEASE AND OTHER DISORDERS Dana-Farber Cancer Institute, Inc. (US) 2013-03-27 — — EP disclosed
EP-2569429-A1 COMPOSITIONS AND METHODS FOR MODULATING METABOLISM Dana-Farber Cancer Institute, Inc. (US) 2013-03-20 — — EP disclosed
WO-2011143657-A1 MALE CONTRACEPTIVE COMPOSITIONS AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. (US) 2011-11-17 — — WO disclosed
WO-2011143651-A1 COMPOSITIONS AND METHODS FOR MODULATING METABOLISM DANA-FARBER CANCER INSTITUTE, INC. (US) 2011-11-17 — — WO disclosed
WO-2011143669-A2 COMPOSITIONS AND METHODS FOR TREATING NEOPLASIA, INFLAMMATORY DISEASE AND OTHER DISORDERS DANA-FARBER CANCER INSTITUTE, INC (US) 2011-11-17 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10407441-B2 Compositions and methods for treating neoplasia, inflammatory disease and other disorders BRPF3, EP300, BRD3 BRD4 4/4885ALDH1A1 3670/4885MAPT 2072/4885
US-10676484-B2 Compositions and methods for treating leukemia MCL1, ABL1, FLT3 BRD4 891/4885ALDH1A1 1723/4885MAPT 4443/4885
US-20180237454-A1 COMPOSITIONS AND METHODS FOR TREATING NEOPLASIA, INFLAMMATORY DISEASE AND OTHER DISORDERS BRPF3, EP300, BRD3 BRD4 4/4885ALDH1A1 3670/4885MAPT 2072/4885
US-20130210813-A1 Male Contraceptive Compositions and Methods of Use SHBG, CYP19A1, CYP17A1 BRD4 3192/4885ALDH1A1 1692/4885MAPT 4052/4885
US-20180222917-A1 COMPOSITIONS AND METHODS FOR TREATING LEUKEMIA MCL1, ABL1, FLT3 BRD4 891/4885ALDH1A1 1723/4885MAPT 4443/4885
US-20220177490-A1 COMPOUNDS HAVING BOTH EFFECTS OF BET BROMODOMAIN PROTEIN INHIBITION AND PD-L1 GENE REGULATION BET1, BRD4, BRD3 BRD4 2/4885ALDH1A1 2723/4885MAPT 2624/4885
US-20130184264-A1 Compositions And Methods For Treating Neoplasia, Inflammatory Disease And Other Disorders BRPF3, EP300, BRD3 BRD4 4/4885ALDH1A1 3670/4885MAPT 2072/4885
US-20130252331-A1 COMPOSITIONS AND METHODS FOR MODULATING METABOLISM BRD3, BRD2, BRD4 BRD4 3/4885ALDH1A1 4275/4885MAPT 2993/4885
US-20230263893-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BROMODOMAIN-CONTAINING PROTEINS BRPF3, STUB1, BRDT BRD4 4/4885ALDH1A1 3365/4885MAPT 2849/4885
US-20200148702-A1 COMPOSITIONS AND METHODS FOR TREATING NEOPLASIA, INFLAMMATORY DISEASE AND OTHER DISORDERS BRPF3, EP300, BRD3 BRD4 4/4885ALDH1A1 3670/4885MAPT 2072/4885
US-10925881-B2 Treatment of conditions associated with hyperinsulinaemia GPR119, IAPP, SLC5A2 BRD4 1068/4885ALDH1A1 1486/4885MAPT 3027/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback