SCHEMBL10147692

SCHEMBL10147692

COP(=O)(O)Oc1ccc(C[C@H](NC=O)C(C)=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 3/20 0.36
▸ GRB2 P62993 2/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ LDHA P00338 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ANPEP P15144 1/20 0.34
▸ ERAP2 Q6P179 1/20 0.34
▸ PPARG P37231 3/20 0.34
▸ ZAP70 P43403 3/20 0.34
▸ CA2 P00918 1/20 0.34
▸ BTN3A1 O00481 1/20 0.34
▸ MMP1 P03956 2/20 0.34
▸ F2 P00734 1/20 0.34
▸ F10 P00742 1/20 0.34
▸ PLG P00747 1/20 0.34
▸ PLAU P00749 1/20 0.34
▸ PLAT P00750 1/20 0.34

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
SCHEMBL10141009 0.88 MMP1 (0.35) SRCGRB2SLC6A4LDHACYP2C19
SCHEMBL14853057 0.88 CYP2C19 (0.36) SRCGRB2SLC6A4LDHACYP2C19
SCHEMBL12983144 0.88 MMP1 (0.35) SRCGRB2SLC6A4LDHACYP2C19
SCHEMBL13255953 0.84 F2 (0.43) SRCGRB2LDHAZAP70CA2
SCHEMBL12980056 0.84 F2 (0.43) SRCGRB2LDHAZAP70CA2
SCHEMBL10076035 0.79 LAP3 (0.43) SLC6A4LDHACYP2C19SMN1; SMN2ANPEP
SCHEMBL4955861 0.76 ALDH1A1 (0.43) LDHACYP2C19SMN1; SMN2ANPEPERAP2
SCHEMBL754142 0.76 CA2 (0.46) LDHAPPARGCA2F2PLG
SCHEMBL12524788 0.75 ESR1 (0.51) SLC6A4
SCHEMBL14330804 0.75 F2 (0.41) ANPEPERAP2F2F10PLG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120076755-A1 Hepatitis C Virus Inhibitors ENANTA PHARMACEUTICALS, INC. 2012-03-29 — — 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 (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-20120076755-A1 Hepatitis C Virus Inhibitors NSUN2, HCCS, HAVCR2 SRC 3356/4885GRB2 3687/4885SLC6A4 3468/4885

“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.

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