SCHEMBL6169846

SCHEMBL6169846

CC(C)(C)c1ccc(C(=O)Nc2ccc(NS(C)(=O)=O)cc2C(=O)Nc2ccc3cc[nH]c3c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.55
BTK Q06187 1/20 0.51
F10 P00742 1/20 0.50
NR1H4 Q96RI1 11/20 0.49
PPARG P37231 5/20 0.49
PPARA Q07869 4/20 0.49
DHPS P49366 2/20 0.45

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
SCHEMBL6169059 0.93 ESR1 (0.56) ESR1BTKNR1H4PPARGPPARA
SCHEMBL6171357 0.86 ESR1 (0.53) ESR1BTKNR1H4PPARGPPARA
SCHEMBL6169988 0.85 MAP4K4 (0.53) BTKF10NR1H4PPARGPPARA
SCHEMBL6172764 0.85 NR1H4 (0.64) ESR1BTKNR1H4PPARGPPARA
SCHEMBL13483891 0.84 ESR1 (0.76) ESR1BTKDHPS
SCHEMBL6170045 0.82 ESR1 (0.54) ESR1BTKNR1H4PPARGPPARA
SCHEMBL7366501 0.82 F10 (0.47) F10NR1H4PPARGPPARA
SCHEMBL6168843 0.81 ESR1 (0.53) ESR1BTKNR1H4PPARGPPARA
SCHEMBL5226932 0.81 NR1H4 (0.57) F10NR1H4PPARGPPARA
SCHEMBL5228051 0.80 RAB9A (0.70) F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6372759-B1 BLOOD COAGULATION FACTOR XA FOR MAMMALS ELI LILLY AND COMPANY 2002-04-16 US claimed
EP-1019045-B1 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2005-06-08 EP disclosed
US-20030078431-A1 Antithrombotic agents BEIGHT DOUGLAS WADE (US) 2003-04-24 US disclosed
US-6500851-B2 ANTICOAGULANT IN MAMMLS ELI LILLY AND COMPANY 2002-12-31 US disclosed
US-20020173518-A1 Antithrombotic agents BEIGHT DOUGLAS WADE (US) 2002-11-21 US disclosed
EP-1019045-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2002-07-03 EP disclosed
US-6372759-B1 BLOOD COAGULATION FACTOR XA FOR MAMMALS ELI LILLY AND COMPANY 2002-04-16 US disclosed
EP-1019045-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-19 EP disclosed
WO-1999000128-A9 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 1999-08-05 WO disclosed
WO-1999000128-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 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-20020173518-A1 Antithrombotic agents SERPINC1, TFPI, F11 ESR1 4237/4885BTK 211/4885F10 15/4885
US-20030078431-A1 Antithrombotic agents SERPINC1, TFPI, F11 ESR1 4237/4885BTK 211/4885F10 15/4885

“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.