SCHEMBL5540664

SCHEMBL5540664

CS(=O)(=O)c1ccc(Cn2c(=O)c(C(=O)NCCO)c(O)c3ncc(Cc4ccc(F)cc4)cc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 3/20 0.44
CNR2 P34972 8/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
ERCC5 P28715 2/20 0.39
FEN1 P39748 1/20 0.39
CNR1 P21554 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
TBXA2R P21731 1/20 0.37
KDM4E B2RXH2 2/20 0.37

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
SCHEMBL5546797 0.92 EGLN1 (0.42) EGLN1CNR2L3MBTL1ERCC5FEN1
SCHEMBL5545394 0.90 CNR2 (0.43) EGLN1CNR2L3MBTL1ERCC5FEN1
SCHEMBL5539175 0.88 CNR2 (0.42) EGLN1CNR2L3MBTL1CNR1MEN1
SCHEMBL5546666 0.88 L3MBTL1 (0.45) EGLN1CNR2L3MBTL1CNR1MEN1
SCHEMBL5540565 0.88 PIK3CA (0.50) CNR2CNR1
SCHEMBL5540865 0.87 MAPT (0.43) EGLN1CNR2L3MBTL1ERCC5CNR1
SCHEMBL5546779 0.86 L3MBTL1 (0.53) L3MBTL1MEN1KMT2AKDM4E
SCHEMBL5546823 0.86 KDM4E (0.49) EGLN1CNR2L3MBTL1CNR1MEN1
SCHEMBL5538721 0.86 L3MBTL1 (0.40) EGLN1CNR2L3MBTL1CNR1MEN1
SCHEMBL5546453 0.86 CYP2C19 (0.48) CNR2KMT2AKDM4E

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-20150225399-A1 HIV INTEGRASE INHIBITORS VIIV HEALTHCARE CO (US) 2015-08-13 US disclosed
US-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS SHIONOGI & CO., LTD. (JP) 2014-09-11 US disclosed
EP-1720856-B1 HIV INTEGRASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-08-14 EP disclosed
US-20070124152-A1 Hiv Integrase Inhibitors GLAXOSMITHKLINE LLC 2007-05-31 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-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS BCDIN3D, DUT, SAMHD1 EGLN1 3142/4885CNR2 3954/4885L3MBTL1 1411/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 EGLN1 3238/4885CNR2 4810/4885L3MBTL1 1408/4885

“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.