SCHEMBL985442

SCHEMBL985442

CS(=O)(=O)OCCc1ccoc1CCOS(C)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MMP9 P14780 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL8440796 0.75 HSD17B10 (0.39) KDM4EALDH1A1LMNATSHR
SCHEMBL1960375 0.74 KDM4E (0.46) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL28027211 0.71 CYP1A2 (0.34)
SCHEMBL8571661 0.70 ALDH1A1 (0.42) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL25827883 0.69 ALDH1A1 (0.43) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL3258334 0.69 CA2 (0.50) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL3589537 0.68 TAAR1 (0.47) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL7827864 0.68 CA2 (0.52)
SCHEMBL27176755 0.67 KDM4E (0.43) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL3128402 0.67 TAAR1 (0.47) KDM4EUSP2ALDH1A1LMNAMMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1980710-B Substituted azepine derivatives as serotonin receptor modulators ATHERSYS INC 2013-06-12 CN disclosed
EP-1778243-B1 SUBSTITUTED AZEPINE DERIVATIVES AS SEROTONIN RECEPTOR MODULATORS ATHERSYS INC (US) 2012-10-31 EP disclosed
US-8232406-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-31 US disclosed
US-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-10 US disclosed
US-7872031-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-18 US disclosed
US-20100190772-A1 Substituted Azepine Derivatives As Serotonin Receptor Modulators BENNANI YOUSSEF L 2010-07-29 US disclosed
US-7718647-B2 Substituted azepine derivatives as serotonin receptor modulators ATHERSYS, INC. (US) 2010-05-18 US disclosed
EP-2004625-B1 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMA (US) 2009-12-30 EP disclosed
EP-2004625-A2 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS Vertex Pharmaceuticals Incorporated (US) 2008-12-24 EP disclosed
US-20070254868-A1 C-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-01 US disclosed
WO-2007111904-A2 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-04 WO disclosed
CN-1980710-A Substituted azepine derivatives as serotonin receptor modulators ATHERSYS INC (US) 2007-06-13 CN disclosed
US-20060003990-A1 Substituted azepine derivatives as serotonin receptor modulators ATHERSYS, INC. 2006-01-05 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 (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-20060003990-A1 Substituted azepine derivatives as serotonin receptor modulators HTR5A, HTR4, HTR7 KDM4E 964/4885USP2 2379/4885ALDH1A1 1011/4885
US-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS MET, PRKCH, ABL1 KDM4E 1069/4885USP2 1322/4885ALDH1A1 3864/4885
US-20100190772-A1 Substituted Azepine Derivatives As Serotonin Receptor Modulators HTR5A, HTR4, HTR2C KDM4E 692/4885USP2 2555/4885ALDH1A1 789/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 KDM4E 1069/4885USP2 1322/4885ALDH1A1 3864/4885

“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.