SCHEMBL13129173

SCHEMBL13129173

CC(C)c1ccccc1C(=O)NS(C)(=O)=O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.51
KCNK3 O14649 3/20 0.46
KCNK9 Q9NPC2 3/20 0.46
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PTPRG P23470 1/20 0.43
CXCL8 P10145 1/20 0.43
BCAT2 O15382 1/20 0.42
BCL2 P10415 1/20 0.42

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
SCHEMBL18798787 0.81 KDM4E (0.64) KDM4EHPGD
SCHEMBL18798786 0.79 MRGPRX1 (0.46) KCNK3KCNK9LMNAALDH1A1
SCHEMBL6654274 0.78 MYC (0.61) MYCL3MBTL1ALDH1A1HPGD
SCHEMBL30183388 0.77 GAA (0.57) KCNK3KCNK9LMNAKMT2ABCL2
SCHEMBL22570394 0.77 GAA (0.55) KCNK3KCNK9LMNAKMT2AKDM4E
SCHEMBL8195324 0.77 GAA (0.57) KCNK3KCNK9LMNAKMT2ABCL2
SCHEMBL4202292 0.76 MYC (0.55) MYCKDM4EALDH1A1HPGDHSD17B10
SCHEMBL22097518 0.76 MYC (0.55) MYCKMT2AKDM4EHPGDHSD17B10
SCHEMBL7973360 0.76 FLT1 (0.61) MYCL3MBTL1KMT2AKDM4EALDH1A1
SCHEMBL365236 0.76 HPGD (0.65) MYCLMNAKMT2AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018115-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE LOXO ONCOLOGY, INC. 2024-01-18 US disclosed
US-20240018115-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE LOXO ONCOLOGY, INC. 2024-01-18 US disclosed
WO-2023212693-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE PETRA PHARMA CORPORATION (US) 2023-11-02 WO disclosed
US-20210363155-A1 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2021-11-25 US disclosed
US-10273243-B2 4-phenylpiperidines, their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2019-04-30 US disclosed
US-9926271-B2 Octahydrocyclopentapyrroles, their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-03-27 US disclosed
US-20170247327-A1 OCTAHYDROCYCLOPENTAPYRROLES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-08-31 US disclosed
US-9637450-B2 Octahydrocyclopentapyrroles, their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-05-02 US disclosed
US-8546420-B2 4, 5-ring annulated indole derivatives for treating or preventing of HCV and related viral infections MERCK SHARP & DOHME CORP. (US) 2013-10-01 US disclosed
US-20100240630-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF Myriad Pharmaceuticals, Inc.. (US) 2010-09-23 US disclosed
US-20100196319-A1 4, 5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS SCHERING CORPORATION (US) 2010-08-05 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 (6 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-10273243-B2 4-phenylpiperidines, their preparation and use HTR3C, HRH4, CYP4F3 MYC 1658/4885L3MBTL1 3529/4885KCNK3 43/4885
US-20100196319-A1 4, 5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS ZC3HAV1, IDO1, ZC3HAV1L MYC 1089/4885L3MBTL1 773/4885KCNK3 1237/4885
US-20100240630-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF HAVCR2, FURIN, SARS1 MYC 1000/4885L3MBTL1 2822/4885KCNK3 3854/4885
US-20240018115-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE PIK3CA, PIK3R4, PIK3R5 MYC 2722/4885L3MBTL1 3117/4885KCNK3 475/4885
US-20210363155-A1 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE HTR3C, HRH4, CYP4F3 MYC 2137/4885L3MBTL1 3481/4885KCNK3 48/4885
US-20170247327-A1 OCTAHYDROCYCLOPENTAPYRROLES, THEIR PREPARATION AND USE CLN6, ALDH1A2, C1S MYC 1721/4885L3MBTL1 401/4885KCNK3 2257/4885

“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.