SCHEMBL838565

SCHEMBL838565

CS(=O)(=O)c1ccc(Cl)c2[nH]ccc12

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 9/20 0.37
▸ AHR P35869 1/20 0.36
▸ NR3C1 P04150 1/20 0.36
▸ PGR P06401 1/20 0.36
▸ NR3C2 P08235 1/20 0.36
▸ AR P10275 1/20 0.36
▸ CCR8 P51685 1/20 0.35
▸ KMT2A Q03164 1/20 0.34
▸ SIRT2 Q8IXJ6 1/20 0.34
▸ BRD4 O60885 2/20 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
SCHEMBL30832725 0.79 L3MBTL1 (0.38) NR3C1PGRNR3C2ARCCR8
SCHEMBL2599781 0.74 AHR (0.48) AHRNR3C1PGRCCR8KMT2A
SCHEMBL5730144 0.74 NR4A2 (0.49) CCR2AHRNR3C1PGRNR3C2
SCHEMBL1465882 0.71 AHR (0.42) AHRNR3C1PGRCCR8KMT2A
SCHEMBL13184313 0.70 AHR (0.38) AHRCCR8KMT2ASIRT2
SCHEMBL21237262 0.70 AHR (0.38) AHRNR3C1PGRCCR8KMT2A
Acetic Acid SCHEMBL27953393 0.70 CREBBP (0.41) AHRCCR8KMT2ASIRT2
SCHEMBL15461585 0.69 POLB (0.56) KMT2A
SCHEMBL29212439 0.69 CA12 (0.37) NR3C1PGRNR3C2ARBRD4
SCHEMBL30968937 0.68 AHR (0.44) AHRNR3C1PGRNR3C2AR

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 11 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-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
EP-1663184-A2 HYDANTOIN DERIVATIVES AS INHIBITORS OF CELLULAR NECROSIS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2006-06-07 — — EP disclosed
WO-2005077344-A2 HYDANTOIN DERIVATIVES AS INHIBITORS OF CELLULAR NECROSIS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2005-08-25 — — WO disclosed
US-20050119260-A1 Inhibitors of cellular necrosis BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2005-06-02 — — 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-20050119260-A1 Inhibitors of cellular necrosis TNF, AIFM1, BAD CCR2 1743/4885AHR 4812/4885NR3C1 4104/4885
US-20110144169-A1 Inhibitors of cellular necrosis TNF, AIFM1, BAD CCR2 1743/4885AHR 4812/4885NR3C1 4104/4885
US-20120149702-A1 INHIBITORS OF CELLULAR NECROSIS TNF, AIFM1, BAD CCR2 1743/4885AHR 4812/4885NR3C1 4104/4885

“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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