SCHEMBL16201818

SCHEMBL16201818

CC[C@@H](C(N)=O)C(O)CCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
CTSC P53634 1/20 0.44
KMT2A Q03164 2/20 0.43
ERAP1 Q9NZ08 4/20 0.42
ERAP2 Q6P179 3/20 0.42
ANPEP P15144 2/20 0.42
IL1RN P18510 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
HPGD P15428 1/20 0.42
METAP2 P50579 1/20 0.41
METAP1 P53582 1/20 0.41
TRPA1 O75762 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CNR2 P34972 1/20 0.41

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
SCHEMBL16201774 1.00 TSHR (0.44) TSHRCTSCKMT2AERAP1ERAP2
SCHEMBL16194341 0.88 ERAP1 (0.46) TSHRKMT2AERAP1ERAP2ANPEP
SCHEMBL16194340 0.88 ERAP1 (0.46) TSHRKMT2AERAP1ERAP2ANPEP
SCHEMBL16201815 0.88 ERAP1 (0.46) TSHRKMT2AERAP1ERAP2ANPEP
SCHEMBL16194598 0.84 CSNK1E (0.52) KMT2AHPGDTRPA1CNR2
SCHEMBL16194597 0.84 CSNK1E (0.52) KMT2AHPGDTRPA1CNR2
SCHEMBL16201776 0.80 CYP2C19 (0.41) TSHRKMT2AERAP1ERAP2ANPEP
SCHEMBL16201773 0.80 CYP2C19 (0.41) TSHRKMT2AERAP1ERAP2ANPEP
SCHEMBL7483571 0.78 ERAP1 (0.51) TSHRCTSCKMT2AERAP1ERAP2
SCHEMBL16201777 0.78 CNR2 (0.46) TSHRKMT2AERAP1ERAP2ANPEP

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-20140323457-A1 BETA-O/S/N FATTY ACID BASED COMPOUNDS AS ANTIBACTERIAL AND ANTIPROTOZOAL AGENTS Technische Universität München (DE) 2014-10-30 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-20140323457-A1 BETA-O/S/N FATTY ACID BASED COMPOUNDS AS ANTIBACTERIAL AND ANTIPROTOZOAL AGENTS FASN, DEGS1, EBP TSHR 4582/4885CTSC 2172/4885KMT2A 4491/4885

“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.