SCHEMBL6857652

SCHEMBL6857652

COc1cccc(Cn2c(C(=O)O)c(-c3ccc(C(C)(C)C)cc3)c3cc(NC(=O)C4CC4)ccc32)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 6/20 0.57
EDNRB P24530 2/20 0.47
EDNRA P25101 2/20 0.47
MTNR1A P48039 3/20 0.44
MTNR1B P49286 3/20 0.44
NPC1 O15118 2/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 2/20 0.43
MAPK1 P28482 1/20 0.43
STAT1 P42224 1/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43

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
SCHEMBL6851399 0.94 SERPINE1 (0.49) SERPINE1MTNR1AMTNR1BNPC1LMNA
Hydrochloric Acid SCHEMBL6859387 0.87 SERPINE1 (0.57) SERPINE1EDNRBEDNRAPPARG
SCHEMBL6856151 0.80 SERPINE1 (0.50) SERPINE1EDNRBEDNRAPPARG
SCHEMBL6851283 0.80 KMT2A (0.45) SERPINE1NPC1LMNAHTTRAB9A
SCHEMBL27597871 0.79 SERPINE1 (0.49) SERPINE1EDNRBEDNRAPPARG
SCHEMBL6855786 0.79 SERPINE1 (0.47) SERPINE1EDNRBEDNRAMAPTTP53
SCHEMBL6858283 0.79 MAPK8 (0.45) SERPINE1EDNRBEDNRAMTNR1AMTNR1B
SCHEMBL6855795 0.77 MAPK8 (0.51) SERPINE1EDNRBEDNRAPPARG
Ethoxycarbonyl Group SCHEMBL27580231 0.76 SERPINE1 (0.46) SERPINE1MTNR1AMTNR1BNPC1LMNA
SCHEMBL4982359 0.75 SERPINE1 (0.92) SERPINE1EDNRBEDNRAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6787651-B2 2-CARBOXY-SUBSTITUTED; TREATING OSTEOPENIA, OSTEOPOROSIS, CANCER, DIABETES AND ATHEROSCLEROSIS. SMITHKLINE BEECHAM CORPORATION 2004-09-07 US disclosed
EP-1341761-A1 SUBSTITUTED INDOLES, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH INDOLES AND THEIR USE AS PPAR-$g(g) BINDING AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-10 EP disclosed
US-20030087902-A1 Substituted indoles, pharmaceutical compounds containing such indoles and their use as PPAR-gamma binding agents SMITHKLINE BEECHAM CORPORATION 2003-05-08 US disclosed
WO-2002030895-A1 SUBSTITUTED INDOLES, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH INDOLES AND THEIR USE AS PPAR-η BINDING AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2002-04-18 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-20030087902-A1 Substituted indoles, pharmaceutical compounds containing such indoles and their use as PPAR-gamma binding agents PPARG, PPARA, PPARD SERPINE1 4051/4885EDNRB 170/4885EDNRA 98/4885

“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.