SCHEMBL3012277

SCHEMBL3012277

O=S(=O)(NCC1CC1)c1ccc(Br)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.69
KMT2A Q03164 2/20 0.56
ALDH1A1 P00352 2/20 0.56
MEN1 O00255 1/20 0.56
CYP2C9 P11712 1/20 0.56
NPY5R Q15761 2/20 0.56
PARG Q86W56 1/20 0.55
ATM Q13315 1/20 0.55
CYP19A1 P11511 1/20 0.54
PKM P14618 1/20 0.53
HTR2C P28335 1/20 0.52
HTR2B P41595 1/20 0.52
CNR2 P34972 3/20 0.52
CNR1 P21554 2/20 0.52
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
SIGMAR1 Q99720 2/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50

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
SCHEMBL31743772 0.93 KMT2A (0.60) GBA1KMT2AALDH1A1MEN1CYP2C9
SCHEMBL14606725 0.92 GBA1 (0.59) GBA1KMT2AALDH1A1MEN1CYP2C9
SCHEMBL14606676 0.92 GBA1 (0.59) GBA1KMT2AALDH1A1MEN1CYP2C9
SCHEMBL7698041 0.92 KMT2A (0.67) GBA1KMT2AALDH1A1MEN1CYP2C9
SCHEMBL23048254 0.89 GBA1 (0.55) GBA1KMT2AALDH1A1MEN1CYP2C9
SCHEMBL16825749 0.89 HTR2C (0.57) GBA1KMT2AALDH1A1MEN1CYP2C9
SCHEMBL13796999 0.86 GBA1 (0.52) GBA1KMT2AALDH1A1MEN1CYP2C9
SCHEMBL2376303 0.82 GBA1 (0.69) GBA1KMT2AALDH1A1MEN1CYP2C9
SCHEMBL6799277 0.82 GBA1 (0.69) GBA1KMT2AALDH1A1MEN1CYP2C9
SCHEMBL4021825 0.82 GBA1 (0.69) GBA1KMT2AALDH1A1MEN1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2976339-B1 GEMINALLY SUBSTITUTED CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-06-27 EP disclosed
EP-2976339-B1 GEMINALLY SUBSTITUTED CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-06-27 EP disclosed
EP-2976340-B1 CYCLOALKYL NITRILE PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-06-13 EP disclosed
US-9957264-B2 Geminally substituted cyanoethylpyrazolo pyridones as Janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2018-05-01 US disclosed
US-9957264-B2 Geminally substituted cyanoethylpyrazolo pyridones as Janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2018-05-01 US disclosed
US-9957264-B2 Geminally substituted cyanoethylpyrazolo pyridones as Janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2018-05-01 US disclosed
US-9725445-B2 Cycloalkyl nitrile pyrazolo pyridones as Janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-08 US disclosed
US-9725445-B2 Cycloalkyl nitrile pyrazolo pyridones as Janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-08 US disclosed
US-9725445-B2 Cycloalkyl nitrile pyrazolo pyridones as Janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-08 US disclosed
US-20160280704-A1 CYCLOALKYL NITRILE PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-09-29 US disclosed
WO-2014035872-A1 TRICYCLIC ALKYNES THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN AMGEN INC. (US) 2014-03-06 WO disclosed
WO-2014035872-A1 TRICYCLIC ALKYNES THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN AMGEN INC. (US) 2014-03-06 WO disclosed
US-20100204228-A1 Aryl Sulfonamides Useful for Modulation of the Progesterone Receptor WYETH LLC (US) 2010-08-12 US disclosed
US-7723332-B2 Aryl sulfonamides useful for modulation of the progesterone receptor WYETH LLC (US) 2010-05-25 US disclosed
US-20100056528-A1 SULFONAMIDE DERIVATIVES WITH THERAPEUTIC INDICATIONS PHARMOS CORPORATION 2010-03-04 US disclosed
EP-2139852-A1 SULFONAMIDE DERIVATIVES WITH THERAPEUTIC INDICATIONS Pharmos Corporation (US) 2010-01-06 EP disclosed
EP-2137145-A2 CYANOPYRROL SULFONAMIDES USEFUL FOR MODULATION OF THE PROGESTERONE RECEPTOR Wyeth (US) 2009-12-30 EP disclosed
WO-2008109055-A2 CYANOPYRROLE SULFONAMIDES USEFUL FOR MODULATION OF THE PROGESTERONE RECEPTOR WYETH (US) 2008-09-12 WO disclosed
US-20080221201-A1 4-(5-cyano-1-methyl-1H-pyrrol-2-yl)-N-methylbenzenesulfonamide; contraception, treating or preventing fibroids, uterine leiomyomata, endometriosis, dysfunctional bleeding, polycystic ovary syndrome, or hormone-dependent carcinomas, providing hormone replacement therapy, stimulating food intake WYETH (US) 2008-09-11 US disclosed
WO-2008075353-A1 SULFONAMIDE DERIVATIVES WITH THERAPEUTIC INDICATIONS PHARMOS CORPORATION (US) 2008-06-26 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 (4 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-20100056528-A1 SULFONAMIDE DERIVATIVES WITH THERAPEUTIC INDICATIONS SULT2A1, STS, SULT1A1 GBA1 117/4885KMT2A 2371/4885ALDH1A1 245/4885
US-20100204228-A1 Aryl Sulfonamides Useful for Modulation of the Progesterone Receptor FSHR, GNRHR, CYP19A1 GBA1 4794/4885KMT2A 399/4885ALDH1A1 946/4885
US-20080221201-A1 4-(5-cyano-1-methyl-1H-pyrrol-2-yl)-N-methylbenzenesulfonamide; contraception, treating or preventing fibroids, uterine leiomyomata, endometriosis, dysfunctional bleeding, polycystic ovary syndrome, or hormone-dependent carcinomas, providing hormone replacement therapy, stimulating food intake PKD1, PKD2, SHBG GBA1 4880/4885KMT2A 279/4885ALDH1A1 1586/4885
US-20160280704-A1 CYCLOALKYL NITRILE PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 GBA1 4615/4885KMT2A 3361/4885ALDH1A1 1154/4885

“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.