SCHEMBL837759

SCHEMBL837759

CN[C@@H](Cc1c[nH]c2c(Cl)cccc12)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 8/20 0.53
ICAM1 P05362 8/20 0.53
ITGAL P20701 8/20 0.53
TNF P01375 1/20 0.52
NR4A2 P43354 1/20 0.48
HTR2A P28223 1/20 0.48
ALOX15 P16050 1/20 0.46
SLC6A4 P31645 1/20 0.46
ACE P12821 3/20 0.46
RIPK1 Q13546 1/20 0.44

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
SCHEMBL836657 0.88 TNF (0.68) ITGB2ICAM1ITGALTNFNR4A2
SCHEMBL837864 0.88 TNF (0.68) ITGB2ICAM1ITGALTNFNR4A2
SCHEMBL32684016 0.87 ITGB2 (0.50) ITGB2ICAM1ITGALTNFNR4A2
SCHEMBL30955892 0.86 ITGB2 (0.59) ITGB2ICAM1ITGALTNFNR4A2
SCHEMBL21392024 0.86 ITGB2 (0.59) ITGB2ICAM1ITGALTNFNR4A2
SCHEMBL27429060 0.86 ITGB2 (0.59) ITGB2ICAM1ITGALTNFNR4A2
SCHEMBL31407308 0.82 ACE (0.56) ITGB2ICAM1ITGALTNFACE
SCHEMBL24328355 0.81 SMN1; SMN2 (0.61) ITGB2ICAM1ITGALTNFNR4A2
SCHEMBL15759314 0.81 NR4A2 (0.53) ITGB2ICAM1ITGALTNFNR4A2
SCHEMBL15759313 0.81 NR4A2 (0.53) ITGB2ICAM1ITGALTNFNR4A2

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 ITGB2 3467/4885ICAM1 478/4885ITGAL 2750/4885
US-20110144169-A1 Inhibitors of cellular necrosis TNF, AIFM1, BAD ITGB2 3467/4885ICAM1 478/4885ITGAL 2750/4885
US-20120149702-A1 INHIBITORS OF CELLULAR NECROSIS TNF, AIFM1, BAD ITGB2 3467/4885ICAM1 478/4885ITGAL 2750/4885

“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.