SCHEMBL2432818

SCHEMBL2432818

CCN(c1cn2nc(-c3ccc(F)cc3)c(C(=O)O)c2cc1OCc1ccccc1)S(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 6/20 0.41
NFE2L2 Q16236 6/20 0.41
CYP19A1 P11511 6/20 0.39
PTGER1 P34995 1/20 0.36
PTGS2 P35354 2/20 0.35
PDE10A Q9Y233 1/20 0.35
CSNK1D P48730 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
SCHEMBL2469793 0.92 LMNA (0.40) KEAP1NFE2L2CYP19A1
SCHEMBL1936885 0.92 CYP19A1 (0.40) KEAP1NFE2L2CYP19A1
SCHEMBL15941908 0.90 CYP19A1 (0.47) KEAP1NFE2L2CYP19A1PTGER1PTGS2
SCHEMBL12164724 0.86 KEAP1 (0.38) KEAP1NFE2L2CYP19A1CSNK1D
SCHEMBL2467500 0.86 DHODH (0.38) PTGS2PDE10A
SCHEMBL6121001 0.85 SMN1; SMN2 (0.43)
SCHEMBL14563822 0.83 CYP19A1 (0.43) CYP19A1PTGER1PTGS2CSNK1D
SCHEMBL15941967 0.83 CYP19A1 (0.47) KEAP1NFE2L2CYP19A1
SCHEMBL17332217 0.83 BRD4 (0.39) PTGER1PDE10ACSNK1D
SCHEMBL15941946 0.82 CYP19A1 (0.48) CYP19A1

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-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
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

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 KEAP1 846/4885NFE2L2 1203/4885CYP19A1 2438/4885
US-20100184800-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 KEAP1 846/4885NFE2L2 1203/4885CYP19A1 2438/4885
US-20120232099-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 KEAP1 846/4885NFE2L2 1203/4885CYP19A1 2438/4885

“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.