SCHEMBL9911889

SCHEMBL9911889

CNC(=O)c1c(-c2ccc(F)cc2)n(C)c2ccc(-c3cccc(C(=O)NC(C)(C)c4ccccc4)c3)cc12

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.45
NR4A2 P43354 1/20 0.40
TACR3 P29371 1/20 0.38
KAT6A Q92794 1/20 0.38
RORC P51449 1/20 0.38
SRC P12931 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
IMPDH2 P12268 1/20 0.37
PDK2 Q15119 1/20 0.37
ADCY8 P40145 1/20 0.37
ADCY1 Q08828 1/20 0.37
ACSS2 Q9NR19 1/20 0.36

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
SCHEMBL2464972 0.81 IMPDH2 (0.48) PPARGTACR3IMPDH2
SCHEMBL1919204 0.80 CYP3A4 (0.53)
SCHEMBL1936783 0.80 PPARG (0.39) PPARGTACR3KAT6AKDM4EALDH1A1
SCHEMBL2469404 0.80 PPARG (0.43) PPARGKAT6AADCY8ADCY1
SCHEMBL1935460 0.77 CYP3A4 (0.41) PPARGADCY8ADCY1
SCHEMBL9911906 0.76 DGAT2 (0.41) PPARGTACR3ALDH1A1
SCHEMBL1919008 0.76 CYP3A4 (0.50)
SCHEMBL12330144 0.74 PPARG (0.39) PPARGKDM4E
SCHEMBL13459695 0.74 PPARG (0.38) PPARGKDM4E
SCHEMBL9911879 0.73 PHGDH (0.42) PPARGTACR3IMPDH2ACSS2

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 PPARG 716/4885NR4A2 2880/4885TACR3 2726/4885
US-20100184800-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 PPARG 716/4885NR4A2 2880/4885TACR3 2726/4885
US-20120232099-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 PPARG 716/4885NR4A2 2880/4885TACR3 2726/4885

“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.