SCHEMBL2934786

SCHEMBL2934786

CC(C)CNS(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.67
SIGMAR1 Q99720 1/20 0.54
CA1 P00915 5/20 0.53
CA2 P00918 5/20 0.53
GBA1 P04062 1/20 0.53
GAA P10253 2/20 0.53
HPGD P15428 1/20 0.53
CYP19A1 P11511 1/20 0.51
TSHR P16473 1/20 0.51
MMP1 P03956 3/20 0.50
MMP2 P08253 3/20 0.50
MMP9 P14780 3/20 0.50
MMP13 P45452 3/20 0.50
MMP3 P08254 2/20 0.50
MMP7 P09237 2/20 0.50
MMP8 P22894 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
SCHEMBL6324078 0.86 SIGMAR1 (0.51) ALDH1A1SIGMAR1CA1CA2GBA1
SCHEMBL3412348 0.86 CA1 (0.52) ALDH1A1SIGMAR1CA1CA2GBA1
SCHEMBL3412102 0.86 CA1 (0.52) ALDH1A1SIGMAR1CA1CA2GBA1
SCHEMBL6321465 0.86 CA1 (0.52) ALDH1A1SIGMAR1CA1CA2GBA1
SCHEMBL7862567 0.83 GBA1 (0.74) ALDH1A1CA1CA2GBA1GAA
SCHEMBL6597702 0.83 GAA (0.49) ALDH1A1SIGMAR1CA1CA2GBA1
SCHEMBL6034629 0.83 SIGMAR1 (0.53) ALDH1A1SIGMAR1CA1CA2GBA1
SCHEMBL15771953 0.82 ALDH1A1 (0.73) ALDH1A1CA1CA2GBA1GAA
SCHEMBL3153289 0.82 SIGMAR1 (0.59) ALDH1A1SIGMAR1CA1CA2GAA
SCHEMBL27287741 0.82 GRIA4 (0.56) ALDH1A1SIGMAR1GBA1CYP19A1MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3668856-B1 NOVEL TETRAZOLE COMPOUNDS AND THEIR USE IN THE TREATMENT OF TUBERCULOSIS GLAXOSMITHKLINE IP DEV LTD (GB) 2021-06-23 EP disclosed
EP-3145912-A1 BENZENE SULFONAMIDE DERIVATIVES AND THEIR USE AS RORC MODULATORS F. Hoffmann-La Roche AG (CH) 2017-03-29 EP disclosed
US-9382222-B2 Benzyl sulfonamide derivatives as RORc modulators GENENTECH, INC. (US) 2016-07-05 US disclosed
US-9382222-B2 Benzyl sulfonamide derivatives as RORc modulators GENENTECH, INC. (US) 2016-07-05 US disclosed
US-9382222-B2 Benzyl sulfonamide derivatives as RORc modulators GENENTECH, INC. (US) 2016-07-05 US disclosed
US-9302985-B2 Benzyl sulfonamide derivatives as RORc modulators GENENTECH, INC. (US) 2016-04-05 US disclosed
US-9302985-B2 Benzyl sulfonamide derivatives as RORc modulators GENENTECH, INC. (US) 2016-04-05 US disclosed
US-9302985-B2 Benzyl sulfonamide derivatives as RORc modulators GENENTECH, INC. (US) 2016-04-05 US disclosed
WO-2015177325-A1 BENZENE SULFONAMIDE DERIVATIVES AND THEIR USE AS RORC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2015-11-26 WO disclosed
WO-2015177325-A1 BENZENE SULFONAMIDE DERIVATIVES AND THEIR USE AS RORC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2015-11-26 WO 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
US-20080119452-A1 METHODS FOR ENHANCING COGNITIVE FUNCTION CALIXA THERAPEUTICS, INC. 2008-05-22 US disclosed
US-20080119452-A1 METHODS FOR ENHANCING COGNITIVE FUNCTION CALIXA THERAPEUTICS, INC. 2008-05-22 US disclosed
US-20080102031-A1 Spirocyclic Heterocyclic Derivatives And Methods Of Their Use ADOLOR CORPORATION (US) 2008-05-01 US disclosed
US-20080102031-A1 Spirocyclic Heterocyclic Derivatives And Methods Of Their Use ADOLOR CORPORATION (US) 2008-05-01 US disclosed
US-7338962-B2 Spirocyclic heterocyclic derivatives and methods of their use ADOLOR CORPORATION (US) 2008-03-04 US disclosed
US-7338962-B2 Spirocyclic heterocyclic derivatives and methods of their use ADOLOR CORPORATION (US) 2008-03-04 US disclosed
EP-1012142-A1 2,3,5-TRISUBSTITUTED PYRIDINES AS INHIBITORS OF CYCLOOXYGENASE-2 Merck Frosst Canada & Co. (CA) 2000-06-28 EP disclosed
WO-1999014194-A1 2,3,5-TRISUBSTITUTED PYRIDINES AS INHIBITORS OF CYCLOOXYGENASE-2 MERCK FROSST CANADA & CO. (CA) 1999-03-25 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 (3 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-20080119452-A1 METHODS FOR ENHANCING COGNITIVE FUNCTION CHAT, GRIN2C, GRIN2A ALDH1A1 1162/4885SIGMAR1 792/4885CA1 470/4885
US-20080102031-A1 Spirocyclic Heterocyclic Derivatives And Methods Of Their Use OPRK1, OPRD1, OPRL1 ALDH1A1 259/4885SIGMAR1 27/4885CA1 1362/4885
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 ALDH1A1 1586/4885SIGMAR1 2903/4885CA1 1757/4885

“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.