SCHEMBL3777012

SCHEMBL3777012

COc1ccc(C[C@@H](CN)C(NC(=O)O)C(C)(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.49
ACACB O00763 1/20 0.41
CA2 P00918 1/20 0.41
SLC6A4 P31645 1/20 0.41
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.40
FPR2 P25090 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 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
SCHEMBL2293590 0.76 ACACB (0.46) ACACBPPARGPPARA
SCHEMBL4583470 0.74 NPSR1 (0.50) ACACBKMT2AALDH1A1
SCHEMBL21840525 0.74 LDHA (0.58) LDHAACACBSLC6A4ALDH1A1FPR2
SCHEMBL18262488 0.72 LDHA (0.57) LDHACA2SLC6A4KMT2AFPR2
SCHEMBL18262496 0.72 LDHA (0.57) LDHACA2SLC6A4KMT2AFPR2
SCHEMBL2308642 0.71 LDHA (0.58) LDHAACACBKMT2AALDH1A1FPR2
SCHEMBL18262755 0.71 LDHA (0.58) LDHAACACBKMT2AALDH1A1FPR2
SCHEMBL28558886 0.70 POLB (0.59) LDHACA2KMT2AFPR2
SCHEMBL18262548 0.70 POLB (0.59) LDHACA2KMT2AFPR2
SCHEMBL18262675 0.70 LDHA (0.54) LDHAACACBCA2SLC6A4KMT2A

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-20100317697-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2010-12-16 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-20100317697-A1 Renin Inhibitors REN, ACE, SERPINB1 LDHA 843/4885ACACB 1710/4885CA2 1125/4885

“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.