SCHEMBL5049535

SCHEMBL5049535

Cc1c(S(N)(=O)=O)sc2cc(Cl)ccc12

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
AKR1B1 P15121 1/20 0.44
HTR6 P50406 2/20 0.43
PFKFB3 Q16875 4/20 0.43
PFKFB4 Q16877 4/20 0.41
CMA1 P23946 4/20 0.41
BCKDK O14874 1/20 0.41
MCL1 Q07820 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
PTGS1 P23219 2/20 0.38
PTGS2 P35354 2/20 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
SCHEMBL1548591 0.87 NPSR1 (0.62) NPSR1L3MBTL1AKR1B1HTR6PFKFB3
SCHEMBL788639 0.87 NPSR1 (0.48) NPSR1L3MBTL1AKR1B1HTR6PFKFB3
SCHEMBL4658351 0.85 NPSR1 (0.47) NPSR1L3MBTL1AKR1B1HTR6PFKFB3
SCHEMBL1575935 0.75 HSD11B1 (0.44) L3MBTL1PFKFB3CMA1RXFP1MAPT
SCHEMBL8285035 0.74 MCL1 (0.44) NPSR1L3MBTL1BCKDKMCL1RXFP1
SCHEMBL13696908 0.73 NPSR1 (0.62) NPSR1L3MBTL1AKR1B1HTR6PFKFB3
SCHEMBL337593 0.73 NPSR1 (0.62) NPSR1L3MBTL1AKR1B1PFKFB3PFKFB4
SCHEMBL10369582 0.72 NPSR1 (0.50) NPSR1L3MBTL1AKR1B1PFKFB3PFKFB4
SCHEMBL2226181 0.72 NPSR1 (0.60) NPSR1L3MBTL1AKR1B1PFKFB3PFKFB4
SCHEMBL16934958 0.71 MCL1 (0.42) NPSR1L3MBTL1BCKDKMCL1RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1684745-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-12-17 EP disclosed
EP-1684745-A4 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-11-19 EP disclosed
US-7309708-B2 Hepatitis C virus inhibitors BIRSTOL-MYERS SQUIBB COMPANY (US) 2007-12-18 US disclosed
US-7309708-B2 Hepatitis C virus inhibitors BIRSTOL-MYERS SQUIBB COMPANY (US) 2007-12-18 US disclosed
US-7309708-B2 Hepatitis C virus inhibitors BIRSTOL-MYERS SQUIBB COMPANY (US) 2007-12-18 US disclosed
EP-1684745-A2 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2006-08-02 EP disclosed
US-20050143316-A1 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-06-30 US disclosed
WO-2005054430-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-16 WO 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 (1 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-20050143316-A1 Hepatitis C virus inhibitors HAVCR2, HCCS, CTRB1 NPSR1 2898/4885L3MBTL1 1371/4885AKR1B1 363/4885

“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.