SCHEMBL9911906

SCHEMBL9911906

CNC(=O)c1c2cc(-c3cccc(C(=O)NC(C)(C)c4ccccc4)c3)ccc2nn1-c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 5/20 0.41
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
GRM5 P41594 2/20 0.39
UBE2M P61081 3/20 0.39
DCUN1D1 Q96GG9 3/20 0.39
TACR3 P29371 1/20 0.39
PPARG P37231 1/20 0.38
ALDH1A1 P00352 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL9911905 0.90 DGAT2 (0.46) DGAT2PIK3CDPIK3CAMTORGRM5
SCHEMBL9911910 0.88 DGAT2 (0.42) DGAT2PIK3CDPIK3CAMTORPPARG
SCHEMBL9911909 0.88 DGAT2 (0.48) DGAT2
SCHEMBL9911908 0.77 CYP2C8 (0.51) DGAT2PIK3CDPIK3CAMTOR
SCHEMBL9911889 0.76 PPARG (0.45) TACR3PPARGALDH1A1
SCHEMBL1935032 0.76 CSNK1D (0.43) PPARG
SCHEMBL2464972 0.75 IMPDH2 (0.48) TACR3PPARG
SCHEMBL1936783 0.74 PPARG (0.39) TACR3PPARGALDH1A1
SCHEMBL1919204 0.74 CYP3A4 (0.53)
SCHEMBL2469404 0.74 PPARG (0.43) DGAT2PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536338-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2013-09-17 US disclosed
US-8293909-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-23 US disclosed
US-8293909-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-23 US disclosed
US-20120232099-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2012-09-13 US disclosed
US-8198449-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-06-12 US disclosed
US-8198449-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-06-12 US disclosed
WO-2011112186-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-15 WO disclosed
US-20100184800-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2010-07-22 US disclosed
US-20100184800-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2010-07-22 US disclosed
US-20100063068-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2010-03-11 US disclosed
US-20100063068-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2010-03-11 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 (3 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-20100063068-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 DGAT2 1365/4885PIK3CD 1881/4885PIK3CA 1466/4885
US-20100184800-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 DGAT2 1365/4885PIK3CD 1881/4885PIK3CA 1466/4885
US-20120232099-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 DGAT2 1365/4885PIK3CD 1881/4885PIK3CA 1466/4885

“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.