SCHEMBL5111835

SCHEMBL5111835

COC(=O)c1cccc(C[C@H](N)C(=O)OC)c1

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 6/20 0.79
LOXL2 Q9Y4K0 1/20 0.63
CYP4F2 P78329 2/20 0.57
CYP4A11 Q02928 2/20 0.57
FOLH1 Q04609 2/20 0.54
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HIF1A Q16665 1/20 0.49
MRGPRX4 Q96LA9 2/20 0.48

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
SCHEMBL14032571 1.00 SLC7A5 (0.79) SLC7A5LOXL2CYP4F2CYP4A11FOLH1
Hydrochloric Acid SCHEMBL5111831 0.99 SLC7A5 (0.77) SLC7A5LOXL2CYP4F2CYP4A11FOLH1
Hydrochloric Acid SCHEMBL5111827 0.99 SLC7A5 (0.77) SLC7A5LOXL2CYP4F2CYP4A11FOLH1
SCHEMBL30655545 0.90 SLC7A5 (0.63) SLC7A5LOXL2CYP4F2CYP4A11FOLH1
SCHEMBL21946225 0.90 SLC7A5 (0.63) SLC7A5LOXL2CYP4F2CYP4A11FOLH1
SCHEMBL7261388 0.88 SLC7A5 (1.00) SLC7A5LOXL2CYP4F2CYP4A11FOLH1
SCHEMBL2059077 0.88 SLC7A5 (0.66) SLC7A5FOLH1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL2059075 0.88 SLC7A5 (0.66) SLC7A5FOLH1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL29221367 0.88 SLC7A5 (0.77) SLC7A5LOXL2CYP4F2CYP4A11FOLH1
SCHEMBL29221365 0.88 SLC7A5 (0.77) SLC7A5LOXL2CYP4F2CYP4A11FOLH1

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 1600/4885LOXL2 3737/4885CYP4F2 2985/4885
US-20020065418-A1 Inhibitors of hepatitis C virus replication; treatment of hepatitis C HAVCR2, HCCS, ZC3HAV1 SLC7A5 838/4885LOXL2 3195/4885CYP4F2 1035/4885
US-20040224955-A1 Viral polymerase inhibitors POLR2H, POLR2E, POLM SLC7A5 1600/4885LOXL2 3737/4885CYP4F2 2985/4885

“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.