SCHEMBL14801537

SCHEMBL14801537

CSc1nc(NCc2ccc(O)cc2)cc(Nc2ccc(C(=O)O)cn2)n1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 12/20 0.43
HDAC1 Q13547 1/20 0.41
HCAR2 Q8TDS4 2/20 0.41
TP53 P04637 1/20 0.40
PPARG P37231 1/20 0.40
GCK P35557 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
VNN1 O95497 1/20 0.38

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
SCHEMBL17797438 0.91 VNN1 (0.45) HCAR3HDAC1HCAR2TP53GAA
SCHEMBL14801946 0.90 CA1 (0.47) HDAC1PPARGMEN1GAAKMT2A
SCHEMBL14802065 0.84 PTGS2 (0.45) HCAR3HCAR2KMT2AVNN1
SCHEMBL16012065 0.81 VNN1 (0.44) HDAC1MEN1GAAKMT2AVNN1
SCHEMBL14801811 0.81 L3MBTL1 (0.45) HCAR3HCAR2GCKVNN1
SCHEMBL16012001 0.79 JAK2 (0.45) TP53MEN1KMT2AVNN1
SCHEMBL14802056 0.78 MEN1 (0.52) HCAR3HCAR2TP53PPARGMEN1
SCHEMBL17797436 0.76 VNN1 (0.44) HCAR3HDAC1HCAR2GAAVNN1
SCHEMBL14801448 0.75 CA1 (0.49) HDAC1TP53
SCHEMBL14802054 0.75 HCAR3 (0.46) HCAR3HCAR2TP53GCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9422311-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-23 US disclosed
US-20150274753-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY 2015-10-01 US disclosed
US-8629150-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-14 US disclosed
US-20130078214-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-28 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 (2 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-20150274753-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C HAVCR2, SLC10A1, HCCS HCAR3 3484/4885HDAC1 2406/4885HCAR2 3681/4885
US-20130078214-A1 Compounds for the Treatment of Hepatitis C HAVCR2, SLC10A1, HCCS HCAR3 3484/4885HDAC1 2406/4885HCAR2 3681/4885

“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.