SCHEMBL2995849

SCHEMBL2995849

CC(C)C(C)(c1ccc(OCc2ccccn2)cc1)c1ccc(C(=O)N[C@H](CO)C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 2/20 0.52
ALOX5AP P20292 1/20 0.49
PARP10 Q53GL7 1/20 0.47
ADAMTS4 O75173 1/20 0.47
MAPK14 Q16539 3/20 0.44
SMO Q99835 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAOB P27338 1/20 0.43
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GRN P28799 1/20 0.42
SORT1 Q99523 1/20 0.42
SYK P43405 1/20 0.41
AURKB Q96GD4 1/20 0.41
INCENP Q9NQS7 1/20 0.41

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
SCHEMBL13248452 0.91 ALOX5AP (0.49) GPR132ALOX5APPARP10MAPK14SMO
SCHEMBL2999279 0.85 PARP10 (0.57) ALOX5APPARP10MAPK14SMOALDH1A1
SCHEMBL3000832 0.85 ALOX5AP (0.56) ALOX5APPARP10ADAMTS4MAPK14SMO
SCHEMBL13267977 0.84 ALOX5AP (0.51) GPR132ALOX5APPARP10MAPK14SMO
SCHEMBL14642563 0.83 ALOX5AP (0.47) ALOX5APPARP10ADAMTS4MAPK14SMO
SCHEMBL14008636 0.83 ALOX5AP (0.53) ALOX5APPARP10ADAMTS4MAPK14SMO
SCHEMBL2248223 0.83 ALOX5AP (0.55) ALOX5APPARP10ADAMTS4MAPK14SMO
SCHEMBL3000149 0.82 ALOX5AP (0.56) ALOX5APPARP10ADAMTS4MAPK14SMO
SCHEMBL3000321 0.81 ALOX5AP (0.52) ALOX5APPARP10MAPK14SMOSMN1; SMN2
SCHEMBL2993311 0.80 ALOX5AP (0.51) ALOX5APPARP10MAPK14SMOALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-29 US disclosed
WO-2008156721-A1 DIPHENYL SUBSTITUTED ALKANES MERCK & CO., INC. (US) 2008-12-24 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 (1 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-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES ALOX5, ALOX15, ALOX15B GPR132 540/4885ALOX5AP 15/4885PARP10 1048/4885

“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.