SCHEMBL6169820

SCHEMBL6169820

CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)c3ccc4c(c3)NCC4)c2N)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 12/20 0.45
PPARG P37231 9/20 0.44
DHPS P49366 2/20 0.44
PPARA Q07869 5/20 0.42
PPARD Q03181 1/20 0.42
RAB9A P51151 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PABPC1 P11940 1/20 0.41
EIF4H Q15056 1/20 0.41

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
SCHEMBL6172160 0.80 NR1H4 (0.62) NR1H4PPARGPPARAPPARDSMN1; SMN2
SCHEMBL6167952 0.78 DHPS (0.55) NR1H4PPARGDHPSPPARAPPARD
SCHEMBL5225252 0.78 NR1H4 (0.63) NR1H4PPARGRAB9AMEN1KMT2A
SCHEMBL5222477 0.77 NR1H4 (0.50) NR1H4PPARGDHPSPPARAPPARD
SCHEMBL7252330 0.75 NR1H4 (0.48) NR1H4PPARGDHPSPPARAPPARD
SCHEMBL6172468 0.75 DHPS (0.57) NR1H4PPARGDHPS
SCHEMBL7519755 0.72 PTGS1 (0.63) NR1H4PPARGPPARAPPARDRAB9A
SCHEMBL6171308 0.70 RAB9A (0.60) NR1H4PPARGDHPSRAB9AMEN1
SCHEMBL28212066 0.70 CRBN (0.47) KDM4ESMN1; SMN2
SCHEMBL27081670 0.68 MAPT (0.62) RAB9AMEN1KMT2APOLBSMN1; SMN2

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 NR1H4 1884/4885PPARG 3664/4885DHPS 274/4885
US-20030078431-A1 Antithrombotic agents SERPINC1, TFPI, F11 NR1H4 1884/4885PPARG 3664/4885DHPS 274/4885

“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.