SCHEMBL5109529

SCHEMBL5109529

NC(=O)[CH]Cc1c(C(N)=O)[nH]c2ccc(NS(=O)(=O)C(F)(F)F)cc12

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA2 P00918 6/20 0.35
KIF11 P52732 1/20 0.35
CA1 P00915 4/20 0.33
PTPN1 P18031 1/20 0.33
EPHX2 P34913 1/20 0.33
PTPN11 Q06124 1/20 0.33
MAP2 P11137 2/20 0.32
CXCR2 P25025 1/20 0.32
BRAF P15056 1/20 0.32

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
SCHEMBL7214330 0.76 KDM4E (0.56) MAPK1SMN1; SMN2
SCHEMBL5066580 0.75 NPSR1 (0.44) MAPK1MAP2
SCHEMBL5117028 0.75 NGFR (0.40) SMN1; SMN2CA2CA1MAP2
SCHEMBL5773017 0.74 KDM4E (0.34) MAP2CXCR2
SCHEMBL7213100 0.71 KDM4E (0.57) MAPK1SMN1; SMN2PTPN11
SCHEMBL2983431 0.71 MAP2 (0.51) MAP2
SCHEMBL7208144 0.70 KDM4E (0.41) MAPK1SMN1; SMN2EPHX2
SCHEMBL7208205 0.70 ALDH1A1 (0.56) SMN1; SMN2
SCHEMBL7637344 0.68 NQO2 (0.43) MAPK1SMN1; SMN2
SCHEMBL7213103 0.67 KDM4E (0.41) MAPK1SMN1; SMN2PTPN1EPHX2PTPN11

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
US-7439258-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD (CA) 2008-10-21 US disclosed
EP-1301487-B1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM CA LTD (CA) 2006-11-22 EP disclosed
US-20040224955-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2004-11-11 US disclosed
US-6794404-B2 BENZIMIDAZOLE DERIVATIVES BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2004-09-21 US disclosed
US-20030232816-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2003-12-18 US disclosed
EP-1301487-A2 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2003-04-16 EP disclosed
US-6479508-B1 INHIBITOR OF RNA DEPENDENT RNA POLYMERASE ACTIVITY OF THE ENZYME NS5B ENCODED BY HEPATITIS C VIRUS FOR TREATMENT AND PREVENTION OF HEPATITIS C INFECTIONS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2002-11-12 US disclosed
US-20020065418-A1 Inhibitors of hepatitis C virus replication; treatment of hepatitis C BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2002-05-30 US disclosed
WO-2002004425-A2 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2002-01-17 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 (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-20030232816-A1 Viral polymerase inhibitors POLR2H, POLR2E, POLM MAPK1 2933/4885SMN1; SMN2 3730/4885CA2 3267/4885
US-20020065418-A1 Inhibitors of hepatitis C virus replication; treatment of hepatitis C HAVCR2, HCCS, ZC3HAV1 MAPK1 1632/4885SMN1; SMN2 4386/4885CA2 4102/4885
US-20040224955-A1 Viral polymerase inhibitors POLR2H, POLR2E, POLM MAPK1 2933/4885SMN1; SMN2 3730/4885CA2 3267/4885

“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.