SCHEMBL7215150

SCHEMBL7215150

O=C(N[C@@H](Cc1ccccc1)C(=O)Oc1ccc(Cl)cc1)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.56
CTSK P43235 2/20 0.55
CTSL P07711 1/20 0.55
CTSB P07858 1/20 0.55
CTSS P25774 1/20 0.55
ALDH1A1 P00352 2/20 0.55
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 1/20 0.55
LMNA P02545 1/20 0.55
HPGD P15428 1/20 0.55
HTT P42858 1/20 0.55
KMT2A Q03164 1/20 0.55
PPARA Q07869 2/20 0.55
ALOX15 P16050 1/20 0.54
TP53 P04637 1/20 0.54
ITGB3 P05106 4/20 0.54
ITGA2B P08514 4/20 0.54
CTRB1 P17538 2/20 0.52

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
SCHEMBL7221789 1.00 TACR1 (0.56) TACR1CTSKCTSLCTSBCTSS
SCHEMBL2855186 0.88 PPARA (0.61) TACR1CTSKCTSLCTSBCTSS
SCHEMBL2855187 0.88 PPARA (0.61) TACR1CTSKCTSLCTSBCTSS
SCHEMBL2852419 0.86 ALDH1A1 (0.65) TACR1CTSKCTSLCTSBCTSS
SCHEMBL2852421 0.86 ALDH1A1 (0.65) TACR1CTSKCTSLCTSBCTSS
SCHEMBL7307413 0.86 PPARA (0.67) TACR1CTSKCTSLCTSBCTSS
SCHEMBL2969722 0.86 PPARA (0.67) TACR1CTSKCTSLCTSBCTSS
SCHEMBL9825847 0.86 PPARA (0.67) TACR1CTSKCTSLCTSBCTSS
SCHEMBL5399121 0.84 GPR34 (0.71) PPARAITGB3ITGA2B
SCHEMBL2857463 0.84 CTSL (0.57) TACR1CTSKCTSLCTSBCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6624311-B2 Forming roxifiban BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-09-23 US disclosed
US-20020160465-A1 Enantioselective enzymatic aminolysis of a racemic 2-isoxazolylacetate alkyl ester BRITOL-MYERS SQUIBB COMPANY (FORMERLY D/B/A DUPONT PHARMACEUTICALS COMPANY) 2002-10-31 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-20020160465-A1 Enantioselective enzymatic aminolysis of a racemic 2-isoxazolylacetate alkyl ester ANPEP, DAO, DNPEP TACR1 2596/4885CTSK 1112/4885CTSL 134/4885

“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.