SCHEMBL301661

SCHEMBL301661

CC(C)c1ccc(NS(C)(=O)=O)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.70
KDM4E B2RXH2 4/20 0.70
ADRB2 P07550 2/20 0.57
ADRB1 P08588 2/20 0.57
ADRB3 P13945 2/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
KIF11 P52732 2/20 0.57
GLA P06280 1/20 0.56
BLM P54132 1/20 0.56
KEAP1 Q14145 1/20 0.56
ALDH1A1 P00352 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
HPGD P15428 1/20 0.55
HTT P42858 1/20 0.55
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
MAPT P10636 3/20 0.52

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
SCHEMBL4661392 0.94 KIF11 (0.67) LMNAKDM4EADRB2ADRB1ADRB3
SCHEMBL2002046 0.83 CA12 (0.55) LMNAKDM4EADRB2ADRB1ADRB3
SCHEMBL4442941 0.83 CA12 (0.55) LMNAKDM4EADRB2ADRB1ADRB3
SCHEMBL8486918 0.83 LMNA (0.63) LMNAKDM4EADRB2ADRB1ADRB3
SCHEMBL12054668 0.83 KEAP1 (0.75) LMNAKDM4EKIF11KEAP1ALDH1A1
Hydrochloric Acid SCHEMBL1285481 0.82 LMNA (0.55) LMNAKDM4EADRB2ADRB1ADRB3
SCHEMBL21033858 0.81 LMNA (0.51) LMNAKDM4EMEN1KMT2AKIF11
SCHEMBL12695023 0.81 LMNA (0.50) LMNAKDM4EADRB2ADRB1ADRB3
SCHEMBL5630910 0.81 CA1 (0.61) LMNAKDM4EALDH1A1CA12CA1
SCHEMBL23960478 0.80 KEAP1 (0.64) LMNAKDM4EADRB2ADRB1ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4850702-B2 2012-01-11 JP claimed
US-12043613-B2 Inhibitors of SARM1 DISARM THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-20230234955-A1 METHOD OF TREATMENT USING SUBSTITUTED PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS ARRAY BIOPHARMA INC (US) 2023-07-27 US disclosed
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 US disclosed
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 US disclosed
US-11697648-B2 Fused pyrimidine pyridinone compounds as JAK inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-07-11 US disclosed
US-11697648-B2 Fused pyrimidine pyridinone compounds as JAK inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-07-11 US disclosed
US-20230212158-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL MYERS SQUIBB CO (US) 2023-07-06 US disclosed
US-7462625-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2008-12-09 US disclosed
US-7417040-B2 Fused tricyclic compounds as inhibitors of 17β-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-26 US disclosed
EP-1897881-A2 Compounds useful for the treatment of obesity, type II diabetes and CNS disorders Biovitrum AB (publ) (SE) 2008-03-12 EP disclosed
WO-2007115231-A2 CXCR4 MODULATORS CHEMOCENTRYX, INC. (US) 2007-10-11 WO disclosed
US-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-09-06 US disclosed
US-7253158-B2 Sulfonamides HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
US-20070149556-A1 Hydroxypyrimidinone derivatives having inhibitory activity against hiv integrase SHIONOGI & CO., LTD. (JP) 2007-06-28 US disclosed
US-20070072854-A1 Nitrooxyderivatives of carvedilol and other beta blockers as antihypertensive NICOX S.A. (FR) 2007-03-29 US disclosed
US-20070072854-A1 Nitrooxyderivatives of carvedilol and other beta blockers as antihypertensive NICOX S.A. (FR) 2007-03-29 US disclosed
US-7179815-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-02-20 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 (9 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-20070149556-A1 Hydroxypyrimidinone derivatives having inhibitory activity against hiv integrase HAT1, SULT1A1, CDK20 LMNA 3192/4885KDM4E 930/4885ADRB2 585/4885
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 LMNA 2749/4885KDM4E 2644/4885ADRB2 99/4885
US-20230212158-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 LGALS3, LGALS1, LGALS3BP LMNA 1394/4885KDM4E 3956/4885ADRB2 3726/4885
US-12043613-B2 Inhibitors of SARM1 SARM1, SMN1; SMN2, SARNP LMNA 1340/4885KDM4E 3087/4885ADRB2 3616/4885
US-20070072854-A1 Nitrooxyderivatives of carvedilol and other beta blockers as antihypertensive ADRB2, ADRB1, ADRA2B LMNA 829/4885KDM4E 3027/4885ADRB2 1/4885
US-20230234955-A1 METHOD OF TREATMENT USING SUBSTITUTED PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS TYMP, TYMS, TK1 LMNA 2889/4885KDM4E 3616/4885ADRB2 1823/4885
US-11697648-B2 Fused pyrimidine pyridinone compounds as JAK inhibitors JAK3, JAK1, JAK2 LMNA 4833/4885KDM4E 1182/4885ADRB2 4076/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 LMNA 2749/4885KDM4E 2644/4885ADRB2 99/4885
US-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR LMNA 3749/4885KDM4E 1846/4885ADRB2 571/4885

“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.