SCHEMBL6855795

SCHEMBL6855795

COC(=O)c1c(-c2ccc(C(C)(C)C)cc2)c2cc(N)ccc2n1Cc1cccc(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 3/20 0.51
PLA2G2A P14555 5/20 0.49
SERPINE1 P05121 3/20 0.49
PPARG P37231 6/20 0.46
EDNRB P24530 1/20 0.43
EDNRA P25101 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
SCHEMBL6858375 0.92 KMT2A (0.47) MAPK8PLA2G2ASERPINE1PPARGEDNRB
SCHEMBL6851399 0.83 SERPINE1 (0.49) MAPK8PLA2G2ASERPINE1PPARG
SCHEMBL6858283 0.82 MAPK8 (0.45) MAPK8PLA2G2ASERPINE1PPARGEDNRB
SCHEMBL6851232 0.82 KMT2A (0.47) MAPK8PLA2G2ASERPINE1PPARGEDNRB
SCHEMBL4887373 0.81 SERPINE1 (0.55) MAPK8PLA2G2ASERPINE1PPARG
SCHEMBL6859423 0.80 KMT2A (0.46) MAPK8PLA2G2ASERPINE1PPARGEDNRB
SCHEMBL6858323 0.80 KMT2A (0.46) MAPK8PLA2G2ASERPINE1PPARGEDNRB
SCHEMBL6855506 0.80 KMT2A (0.46) MAPK8PLA2G2ASERPINE1PPARGEDNRB
SCHEMBL6858317 0.79 ELANE (0.51) PLA2G2ASERPINE1
SCHEMBL6858319 0.78 KMT2A (0.49) MAPK8PLA2G2ASERPINE1PPARGEDNRB

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-6787651-B2 2-CARBOXY-SUBSTITUTED; TREATING OSTEOPENIA, OSTEOPOROSIS, CANCER, DIABETES AND ATHEROSCLEROSIS. SMITHKLINE BEECHAM CORPORATION 2004-09-07 US 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

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 MAPK8 2081/4885PLA2G2A 533/4885SERPINE1 4051/4885

“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.