SCHEMBL4630288

SCHEMBL4630288

COc1cc(Cl)ccc1C(C)(C)CC(O)(CNc1cccc2[nH]ncc12)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 15/20 0.49
PGR P06401 4/20 0.49
NR3C2 P08235 5/20 0.40
TRPV1 Q8NER1 3/20 0.39
RAF1 P04049 1/20 0.39
BRAF P15056 1/20 0.39
RET P07949 1/20 0.38
KIF5B P33176 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
SCHEMBL4732615 0.93 NR3C1 (0.44) NR3C1PGRNR3C2TRPV1
SCHEMBL5777869 0.93 NR3C1 (0.56) NR3C1PGRNR3C2
SCHEMBL5780477 0.90 NR3C1 (0.60) NR3C1PGRNR3C2
SCHEMBL5777188 0.90 NR3C1 (0.49) NR3C1PGRNR3C2TRPV1RAF1
SCHEMBL5800297 0.88 NR3C1 (0.48) NR3C1PGRNR3C2TRPV1
SCHEMBL5777416 0.88 NR3C1 (0.55) NR3C1PGRNR3C2
SCHEMBL6404831 0.88 NR3C1 (0.52) NR3C1PGRNR3C2TRPV1RAF1
SCHEMBL6405053 0.88 NR3C1 (0.55) NR3C1PGRNR3C2RAF1BRAF
SCHEMBL5774962 0.86 NR3C1 (0.46) NR3C1PGRNR3C2TRPV1RAF1
SCHEMBL5778544 0.85 NR3C1 (0.68) NR3C1PGRNR3C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008055709-A1 INDAZOLE AND INDOLE DERIVATIVES AS ANTI -INFLAMMATORY AGENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-05-15 WO disclosed
EP-1921068-A1 Indazole and indole derivatives as anti-inflammatory agents Bayer Schering Pharma Aktiengesellschaft (DE) 2008-05-14 EP disclosed
EP-1638945-A1 HETEROCYCLICALLY SUBSTITUTED PENTANOL DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS Schering Aktiengesellschaft (DE) 2006-03-29 EP disclosed
US-20050277654-A1 4,5-Disubstituted-2-aryl pyrimidines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2005-12-15 US disclosed
US-20050090559-A1 Heterocyclically-substituted pentanol derivatives, process for their production and their use as anti-inflammatory agents SCHERING AG (DE) 2005-04-28 US disclosed
WO-2005003098-A1 HETEROCYCLICALLY SUBSTITUTED PENTANOL DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-01-13 WO 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 (2 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-20050090559-A1 Heterocyclically-substituted pentanol derivatives, process for their production and their use as anti-inflammatory agents IL1B, NFKBIA, BBOX1 NR3C1 1483/4885PGR 3289/4885NR3C2 872/4885
US-20050277654-A1 4,5-Disubstituted-2-aryl pyrimidines C5AR2, C3AR1, C5AR1 NR3C1 540/4885PGR 400/4885NR3C2 589/4885

“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.