SCHEMBL6170844

SCHEMBL6170844

CC(C)(C)c1ccc(C(=O)Nc2cc(O)ccc2NC(=O)c2ccc3c(Cl)c[nH]c3c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.48
RAB9A P51151 4/20 0.47
ALDH1A1 P00352 2/20 0.47
NPC1 O15118 2/20 0.47
GLA P06280 1/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
NR1H4 Q96RI1 4/20 0.46
PPARG P37231 3/20 0.46
DHPS P49366 2/20 0.45
F10 P00742 3/20 0.44
PPARA Q07869 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL6170659 0.87 DHPS (0.45) SERPINE1RAB9AALDH1A1NPC1GLA
SCHEMBL6170923 0.83 PDE4A (0.41) SERPINE1RAB9AALDH1A1NPC1GLA
SCHEMBL6172985 0.79 DHPS (0.53) SERPINE1RAB9AALDH1A1NPC1GLA
SCHEMBL7364951 0.78 F10 (0.40) SERPINE1RAB9AALDH1A1NPC1GLA
SCHEMBL8307530 0.72 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DF10
SCHEMBL6170574 0.71 F10 (0.41) SERPINE1RAB9AALDH1A1PDE4APDE4B
SCHEMBL7294314 0.71 NR1H4 (0.65) SERPINE1RAB9AALDH1A1NPC1GLA
SCHEMBL13672542 0.70 KIF11 (0.47) ALDH1A1F10HPGDMEN1KMT2A
SCHEMBL4145305 0.70 F10 (0.48) PDE4APDE4BPDE4CPDE4DF10
SCHEMBL5693694 0.69 SERPINE1 (0.65) SERPINE1RAB9AALDH1A1NR1H4PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 SERPINE1 18/4885RAB9A 3012/4885ALDH1A1 323/4885
US-20030078431-A1 Antithrombotic agents SERPINC1, TFPI, F11 SERPINE1 18/4885RAB9A 3012/4885ALDH1A1 323/4885

“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.