SCHEMBL6167952

SCHEMBL6167952

CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)c3ccc4cc[nH]c4c3)c2N)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DHPS P49366 5/20 0.55
MAPK11 Q15759 1/20 0.48
MAPK14 Q16539 1/20 0.48
NR1H4 Q96RI1 7/20 0.47
BTK Q06187 3/20 0.47
PPARG P37231 5/20 0.46
ESR1 P03372 2/20 0.45
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 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
SCHEMBL6172468 0.84 DHPS (0.57) DHPSNR1H4BTKPPARGHDAC3
SCHEMBL5225252 0.80 NR1H4 (0.63) NR1H4PPARGHDAC1
SCHEMBL6172764 0.79 NR1H4 (0.64) DHPSNR1H4BTKPPARGESR1
SCHEMBL6169820 0.78 NR1H4 (0.45) DHPSNR1H4PPARGPPARDPPARA
SCHEMBL5222477 0.78 NR1H4 (0.50) DHPSNR1H4PPARGPPARDPPARA
SCHEMBL7252330 0.77 NR1H4 (0.48) DHPSNR1H4PPARGPPARDPPARA
SCHEMBL6172985 0.77 DHPS (0.53) DHPSMAPK11MAPK14NR1H4BTK
SCHEMBL7370942 0.75 RAF1 (0.46) DHPSNR1H4PPARGPPARA
SCHEMBL13483891 0.74 ESR1 (0.76) DHPSBTKESR1HDAC3
SCHEMBL6172921 0.74 ESR1 (0.56) DHPSMAPK11MAPK14NR1H4BTK

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 DHPS 274/4885MAPK11 239/4885MAPK14 1019/4885
US-20030078431-A1 Antithrombotic agents SERPINC1, TFPI, F11 DHPS 274/4885MAPK11 239/4885MAPK14 1019/4885

“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.