SCHEMBL1936685

SCHEMBL1936685

COC(=O)c1c(-c2ccc(F)cc2)oc2ncc(-c3cc(C(=O)O)ccc3Cl)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.41
ABL1 P00519 2/20 0.41
CTSA P10619 1/20 0.38
PLG P00747 1/20 0.37
PLAU P00749 1/20 0.37
MAP2K4 P45985 1/20 0.37
SGK1 O00141 1/20 0.37
CAMKK2 Q96RR4 1/20 0.37
MAP4K4 O95819 1/20 0.37
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
ANO1 Q5XXA6 1/20 0.36
PDGFRB P09619 1/20 0.36
KDR P35968 1/20 0.36
TDO2 P48775 1/20 0.36
SCN9A Q15858 1/20 0.35
DHODH Q02127 1/20 0.35

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
SCHEMBL1936118 0.90 CYP2C8 (0.43) RCE1ABL1MAP2K4SGK1CAMKK2
SCHEMBL1936396 0.84 MAP4K4 (0.40) ABL1PLGPLAUMAP2K4MAP4K4
SCHEMBL1936612 0.81 CYP2C8 (0.58) ABL1BDKRB1
SCHEMBL2433685 0.81 ALDH1A1 (0.45) ABL1
SCHEMBL1934991 0.79 CYP2C8 (0.41) RCE1ABL1MAP2K4PIK3CDPIK3CA
SCHEMBL2996484 0.75 CYP2C8 (0.58)
SCHEMBL2432879 0.75 CYP2C8 (0.40) ABL1ANO1
SCHEMBL1934754 0.74 MAP4K4 (0.42) ABL1MAP4K4
SCHEMBL1935042 0.74 ABL1 (0.42) ABL1MAP4K4
SCHEMBL1936252 0.74 ABL1 (0.43) ABL1MAP2K4SGK1CAMKK2PIK3CD

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 10 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
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 RCE1 1738/4885ABL1 153/4885CTSA 969/4885
US-20100184800-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 RCE1 1738/4885ABL1 153/4885CTSA 969/4885
US-20120232099-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 RCE1 1738/4885ABL1 153/4885CTSA 969/4885

“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.