SCHEMBL837254

SCHEMBL837254

CCC(C)OC(=O)C(Cc1c[nH]c2c(F)cccc12)(NC=O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MPO P05164 7/20 0.40
GPR84 Q9NQS5 1/20 0.39
SLC6A4 P31645 5/20 0.38
TACR1 P25103 3/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RIPK1 Q13546 1/20 0.34
ALKBH5 Q6P6C2 1/20 0.34
FTO Q9C0B1 1/20 0.34
UBE2N P61088 1/20 0.34
RAB9A P51151 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
TPSAB1 Q15661 1/20 0.32

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
SCHEMBL837439 0.89 HTT (0.35) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL837267 0.89 NR4A2 (0.39) SLC6A4TACR1KDM4EALDH1A1LMNA
SCHEMBL837920 0.88 MTNR1A (0.45) TACR1KDM4EALDH1A1LMNAMAPT
SCHEMBL6044676 0.85 KDM4E (0.45) TACR1KDM4EALDH1A1MAPTL3MBTL1
SCHEMBL837253 0.81 MPO (0.45) MPOGPR84SLC6A4KDM4EALDH1A1
SCHEMBL837467 0.76 SPR (0.30)
SCHEMBL4640443 0.75 GPR84 (0.39) GPR84TACR1ALDH1A1LMNA
SCHEMBL837266 0.69 NR4A2 (0.44) SLC6A4KDM4EALDH1A1LMNAMAPT
SCHEMBL837438 0.69 ALDH1A1 (0.39) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL836529 0.69 NR4A2 (0.39) MAPTUBE2N

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 MPO 43/4885GPR84 4197/4885SLC6A4 3792/4885
US-20110144169-A1 Inhibitors of cellular necrosis TNF, AIFM1, BAD MPO 43/4885GPR84 4197/4885SLC6A4 3792/4885
US-20120149702-A1 INHIBITORS OF CELLULAR NECROSIS TNF, AIFM1, BAD MPO 43/4885GPR84 4197/4885SLC6A4 3792/4885

“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.