SCHEMBL4896949

SCHEMBL4896949

C[C@@H](C(=O)O)N(C(=O)OCC1c2ccccc2-c2ccccc21)C1CCC1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FABP5 Q01469 3/20 0.45
FABP7 O15540 2/20 0.45
KMT2A Q03164 2/20 0.41
CASP3 P42574 1/20 0.40
EPHX2 P34913 1/20 0.39
OPRD1 P41143 1/20 0.38
MDM4 O15151 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL28659758 1.00 FABP5 (0.45) FABP5FABP7KMT2ACASP3EPHX2
SCHEMBL524832 0.98 FABP5 (0.44) FABP5FABP7KMT2ACASP3EPHX2
SCHEMBL6013918 0.98 FABP5 (0.44) FABP5FABP7KMT2ACASP3EPHX2
SCHEMBL11902423 0.96 FABP5 (0.46) FABP5FABP7KMT2ACASP3EPHX2
SCHEMBL20681006 0.96 FABP5 (0.46) FABP5FABP7KMT2ACASP3EPHX2
SCHEMBL4736280 0.87 KMT2A (0.40) FABP5FABP7KMT2ACASP3EPHX2
SCHEMBL4736278 0.87 KMT2A (0.40) FABP5FABP7KMT2ACASP3EPHX2
SCHEMBL29913804 0.83 FABP5 (0.47) FABP5FABP7KMT2ACASP3EPHX2
SCHEMBL120596 0.82 FABP5 (0.46) FABP5FABP7KMT2ACASP3EPHX2
SCHEMBL16095352 0.82 FABP5 (0.46) FABP5FABP7KMT2ACASP3EPHX2

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-20080161254-A1 HCV INHIBITORS VIROBAY, INC. (US) 2008-07-03 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-20080161254-A1 HCV INHIBITORS HAVCR2, ZC3HAV1, EIF2AK2 FABP5 2736/4885FABP7 4573/4885KMT2A 4134/4885

“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.