SCHEMBL877284

SCHEMBL877284

CS(=O)(=O)c1cc(Cl)c2[nH]ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 1/20 0.43
▸ NR3C1 P04150 1/20 0.38
▸ PGR P06401 1/20 0.38
▸ NR3C2 P08235 1/20 0.38
▸ AR P10275 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ PTGS2 P35354 4/20 0.36
▸ LRRK2 Q5S007 2/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ IKBKB O14920 3/20 0.35
▸ CHUK O15111 2/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ ESR1 P03372 1/20 0.33

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
SCHEMBL10179821 0.81 NR3C1 (0.39) NR3C1PGRNR3C2ARPTGS2
SCHEMBL8533144 0.79 PTGS2 (0.43) NR3C1PGRNR3C2ARPTGS2
SCHEMBL10179498 0.76 HTR6 (0.44) NR3C1PGRNR3C2ARPTGS2
SCHEMBL10179278 0.74 ALDH1A1 (0.43) LMNA
SCHEMBL1757762 0.72 MAPK1 (0.36) LMNAPTGS2
SCHEMBL987448 0.72 IKBKB (0.43) PTGS2IKBKBCHUK
SCHEMBL860074 0.72 AHR (0.50) AHRARBRD4IKBKBCHUK
SCHEMBL838245 0.71 AHR (0.54) AHRNR3C1PGRIKBKBCHUK
SCHEMBL30968937 0.70 AHR (0.44) AHRNR3C1PGRNR3C2AR
SCHEMBL4489425 0.70 AHR (0.52) AHRNR3C1PGRARIKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3081214-A2 INHIBITORS OF CELLULAR NECROSIS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2016-10-19 — — EP disclosed
EP-2384753-B1 Hydantoin derivatives as inhibitors of cellular necrosis BRIGHAM & WOMENS HOSPITAL (US) 2016-01-06 — — EP disclosed
US-8741942-B2 Inhibitors of cellular necrosis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-06-03 — — US disclosed
US-20120245344-A1 GPR119 AGONIST NIPPON CHEMIPHAR CO., LTD. (JP) 2012-09-27 — — US disclosed
EP-2474540-A1 GPR119 AGONIST Nippon Chemiphar Co., Ltd. (JP) 2012-07-11 — — EP disclosed
US-20120149702-A1 INHIBITORS OF CELLULAR NECROSIS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2012-06-14 — — US disclosed
US-8143300-B2 Inhibitors of cellular necrosis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-03-27 — — US disclosed
EP-2384753-A1 Hydantoin derivatives as inhibitors of cellular necrosis The Brigham and Women's Hospital, Inc. (US) 2011-11-09 — — EP disclosed
US-20110144169-A1 Inhibitors of cellular necrosis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-06-16 — — US disclosed
US-7491743-B2 Inhibitors of cellular necrosis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-02-17 — — 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 (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-20110144169-A1 Inhibitors of cellular necrosis TNF, AIFM1, BAD AHR 4812/4885NR3C1 4104/4885PGR 3335/4885
US-20120149702-A1 INHIBITORS OF CELLULAR NECROSIS TNF, AIFM1, BAD AHR 4812/4885NR3C1 4104/4885PGR 3335/4885
US-20120245344-A1 GPR119 AGONIST GPR119, GPR4, GPR55 AHR 182/4885NR3C1 253/4885PGR 648/4885

“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.

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