SCHEMBL1935263

SCHEMBL1935263

CNC(=O)c1c(-c2ccc(F)cc2)nn2ccc(-c3cc(C(=O)O)cc(F)c3C)c(F)c12

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGFR P43088 4/20 0.40
DHODH Q02127 4/20 0.35
DHFR P00374 1/20 0.35
ALKBH5 Q6P6C2 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35
CSNK1D P48730 4/20 0.34
CSNK1E P49674 4/20 0.34
GRM5 P41594 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK14 Q16539 1/20 0.34
NTRK1 P04629 1/20 0.33

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
SCHEMBL1936453 0.88 CYP2C8 (0.41) PTGFRPIK3CDPIK3CAMTORCSNK1D
SCHEMBL1937067 0.85 CYP2C8 (0.48) MAPK14
SCHEMBL2465351 0.81 CYP2C8 (0.40) MAPK14
SCHEMBL2461748 0.81 CYP2C8 (0.51)
SCHEMBL17530617 0.80 MAPK14 (0.33) MAPK14NTRK1
SCHEMBL2468380 0.79 CSNK1D (0.37) CSNK1DCSNK1E
SCHEMBL1934770 0.79 CSNK1D (0.37) DHODHCSNK1DCSNK1E
SCHEMBL2469800 0.77 CSNK1D (0.37) PTGFRPIK3CDPIK3CAMTORCSNK1D
SCHEMBL1937117 0.76 CYP2C8 (0.57) MAPK14
SCHEMBL2467631 0.75 NPC1 (0.38) DHODHCSNK1DCSNK1E

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
EP-2331502-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2016-03-02 EP disclosed
US-8536338-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2013-09-17 US disclosed
EP-2545050-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2013-01-16 EP 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
WO-2011112186-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-15 WO disclosed
EP-2331502-A2 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2011-06-15 EP disclosed
US-20100184800-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2010-07-22 US disclosed
WO-2010030538-A2 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2010-03-18 WO 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 PTGFR 3054/4885DHODH 1777/4885DHFR 1229/4885
US-20100184800-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 PTGFR 3054/4885DHODH 1777/4885DHFR 1229/4885
US-20120232099-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 PTGFR 3054/4885DHODH 1777/4885DHFR 1229/4885

“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.