SCHEMBL5117537

SCHEMBL5117537

N[C@@H](Cc1ccc(O)c(-c2nnn[nH]2)c1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 5/20 0.56
PTGS1 P23219 2/20 0.56
HSD17B10 Q99714 2/20 0.56
KDM4E B2RXH2 1/20 0.56
USP2 O75604 1/20 0.56
EGFR P00533 1/20 0.56
LCK P06239 1/20 0.56
FYN P06241 1/20 0.56
ADORA3 P0DMS8 1/20 0.56
ALOX15 P16050 1/20 0.56
HTR2A P28223 1/20 0.56
PTGS2 P35354 1/20 0.56
RECQL P46063 1/20 0.56
HIF1A Q16665 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
PKM P14618 2/20 0.43
GRIA2 P42262 1/20 0.41
ALPI P09923 1/20 0.41
XIAP P98170 1/20 0.41
THRB P10828 4/20 0.40

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
SCHEMBL338068 0.81 SLC7A5 (0.77) SLC7A5PTGS1HSD17B10KDM4EUSP2
SCHEMBL29508389 0.81 SLC7A5 (0.77) SLC7A5PTGS1HSD17B10KDM4EUSP2
SCHEMBL2767910 0.81 SLC7A5 (0.77) SLC7A5PTGS1HSD17B10KDM4EUSP2
SCHEMBL5112416 0.80 SLC7A5 (0.51) SLC7A5PTGS1HSD17B10KDM4EUSP2
SCHEMBL27912996 0.79 SLC7A5 (0.57) SLC7A5PTGS1HSD17B10KDM4EUSP2
SCHEMBL5123376 0.79 GRIA2 (0.58) SLC7A5PTGS1PKMGRIA2ALPI
SCHEMBL27991972 0.79 SLC7A5 (0.57) SLC7A5PTGS1HSD17B10KDM4EUSP2
SCHEMBL9924695 0.76 SLC7A5 (0.69) SLC7A5PTGS1HSD17B10KDM4EUSP2
SCHEMBL29364864 0.76 SLC7A5 (0.69) SLC7A5PTGS1HSD17B10KDM4EUSP2
SCHEMBL13588692 0.73 SLC7A5 (0.65) SLC7A5PTGS1HSD17B10KDM4EUSP2

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 10 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-6448281-B1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION; TREATMENT OF HEPATITIS C BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2002-09-10 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 SLC7A5 1600/4885PTGS1 4353/4885HSD17B10 2086/4885
US-20020065418-A1 Inhibitors of hepatitis C virus replication; treatment of hepatitis C HAVCR2, HCCS, ZC3HAV1 SLC7A5 838/4885PTGS1 3501/4885HSD17B10 1142/4885
US-20040224955-A1 Viral polymerase inhibitors POLR2H, POLR2E, POLM SLC7A5 1600/4885PTGS1 4353/4885HSD17B10 2086/4885

“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.