SCHEMBL178299

SCHEMBL178299

CCCC1CCS(=O)(=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.33
HTT P42858 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
LMNA P02545 2/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL6913720 0.86 CYP1A2 (0.54) ALDH1A1KDM4ECYP1A2CYP2C9HTT
SCHEMBL1352439 0.86 ALDH1A1 (0.47) ALDH1A1KDM4ECYP1A2CYP2C9HTT
SCHEMBL9623873 0.84 CYP1A2 (0.46) ALDH1A1CYP1A2CYP2C9HTTL3MBTL1
SCHEMBL8069745 0.79 ALDH1A1 (0.39) ALDH1A1KDM4EHTTL3MBTL1GAA
SCHEMBL1352690 0.79 CYP2C9 (0.35) ALDH1A1KDM4ECYP1A2CYP2C9HTT
SCHEMBL6774136 0.77 KDM4E (0.38) ALDH1A1KDM4E
SCHEMBL5475667 0.77 KDM4E (0.38) ALDH1A1KDM4E
SCHEMBL18389245 0.76 KDM4E (0.34) ALDH1A1KDM4E
SCHEMBL24456484 0.75 KDM4E (0.36) ALDH1A1KDM4E
SCHEMBL16977515 0.75 KDM4E (0.36) ALDH1A1KDM4E

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210353781-A1 SURFACE-MODIFIED CELLS, METHODS OF MAKING AND USING UNITED STATES GOVERNMENT 2021-11-18 US disclosed
WO-2021223736-A1 COMPOUNDS AS BCL-2 INHIBITORS FOCHON PHARMACEUTICALS, LTD. (CN) 2021-11-11 WO disclosed
US-11046679-B2 Indoleamine 2,3-dioxygenase inhibitor and application NANJING TRANSTHERA BIOSCIENCES CO. LTD. (CN) 2021-06-29 US disclosed
US-20200181131-A1 INDOLEAMINE 2,3-DIOXYGENASE INHIBITOR AND APPLICATION NANJING TRANSTHERA BIOSCIENCES CO. LTD. (CN) 2020-06-11 US disclosed
WO-2019075367-A1 PKM2 ACTIVATORS IN COMBINATION WITH REACTIVE OXYGEN SPECIES FOR TREATMENT OF CANCER TOLERO PHARMACEUTICALS, INC. (US) 2019-04-18 WO disclosed
US-20180078545-A1 METHODS FOR TREATING CANCER WITH TRKA RECEPTOR TYROSINE KINASE ANTAGONISTS VM Oncology LLC (US) 2018-03-22 US disclosed
EP-2909181-B1 PKM2 MODULATORS AND METHODS FOR THEIR USE TOLERO PHARMACEUTICALS INC (US) 2017-08-09 EP disclosed
US-20170015631-A1 PKM2 MODULATORS AND METHODS FOR THEIR USE SUMITOMO PHARMA ONCOLOGY, INC. 2017-01-19 US disclosed
US-9394257-B2 PKM2 modulators and methods for their use TOLERO PHARMACEUTICALS, INC. (US) 2016-07-19 US disclosed
WO-2016090285-A1 4,6-SUBSTITUTED-PYRAZOLO[1,5-a]PYRAZINES AS JANUS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-06-09 WO disclosed
US-9302988-B2 Fluoromethyl-substituted pyrrole carboxamides Grünenthal GmbH (DE) 2016-04-05 US disclosed
US-20150344436-A1 PKM2 MODULATORS AND METHODS FOR THEIR USE SUMITOMO PHARMA ONCOLOGY, INC. 2015-12-03 US disclosed
US-20140066426-A1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES GRUENENTHAL GMBH (DE) 2014-03-06 US disclosed
US-20120058997-A1 IMIDAZO[1,2-B]PYRIDAZINE AND PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2012-03-08 US 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 (8 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-11046679-B2 Indoleamine 2,3-dioxygenase inhibitor and application IDO1, IDO2, INMT ALDH1A1 1320/4885KDM4E 428/4885CYP1A2 107/4885
US-20180078545-A1 METHODS FOR TREATING CANCER WITH TRKA RECEPTOR TYROSINE KINASE ANTAGONISTS NGFR, LCK, ERBB2 ALDH1A1 3573/4885KDM4E 2732/4885CYP1A2 3835/4885
US-20120058997-A1 IMIDAZO[1,2-B]PYRIDAZINE AND PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIM1, PIM2, PIM3 ALDH1A1 1698/4885KDM4E 1257/4885CYP1A2 1762/4885
US-20140066426-A1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES TRPV1, CACNA1B, CACNA1G ALDH1A1 3161/4885KDM4E 808/4885CYP1A2 2188/4885
US-20210353781-A1 SURFACE-MODIFIED CELLS, METHODS OF MAKING AND USING CD4, EPCAM, CD2 ALDH1A1 3890/4885KDM4E 3171/4885CYP1A2 4884/4885
US-20170015631-A1 PKM2 MODULATORS AND METHODS FOR THEIR USE PDK1, PDK2, PKM ALDH1A1 2333/4885KDM4E 297/4885CYP1A2 2145/4885
US-20150344436-A1 PKM2 MODULATORS AND METHODS FOR THEIR USE PDK1, PDK2, PKM ALDH1A1 2333/4885KDM4E 297/4885CYP1A2 2145/4885
US-20200181131-A1 INDOLEAMINE 2,3-DIOXYGENASE INHIBITOR AND APPLICATION IDO1, IDO2, INMT ALDH1A1 1320/4885KDM4E 428/4885CYP1A2 107/4885

“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.