SCHEMBL7469210

SCHEMBL7469210

C=CCC(C(=O)O)c1cccc(-c2ccccc2)c1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.73
PTGS2 P35354 2/20 0.47
CPN1 P15169 2/20 0.45
CPB2 Q96IY4 2/20 0.45
CTSL P07711 1/20 0.45
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
ECE1 P42892 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
CTSA P10619 2/20 0.40
CASR P41180 1/20 0.39
KMO O15229 1/20 0.39

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
SCHEMBL15058078 0.86 CYP2C19 (0.51) CYP2C19PTGS2CPN1CPB2CTSL
SCHEMBL5156636 0.85 CYP2C19 (0.80) CYP2C19PTGS2CTSSCTSK
SCHEMBL1458050 0.85 CYP2C19 (1.00) CYP2C19CPN1CPB2
SCHEMBL1458057 0.85 CYP2C19 (1.00) CYP2C19CPN1CPB2
SCHEMBL666893 0.85 CYP2C19 (1.00) CYP2C19CPN1CPB2
SCHEMBL1457969 0.83 CYP2C19 (0.96) CYP2C19CPN1CPB2
SCHEMBL10959538 0.83 CYP2C19 (0.96) CYP2C19CPN1CPB2
SCHEMBL1458161 0.83 CYP2C19 (0.96) CYP2C19CPN1CPB2
SCHEMBL7561117 0.83 CYP2C19 (0.49) CYP2C19PTGS2CTSLCTSSCTSK
SCHEMBL11644321 0.82 CYP2C19 (0.69) CYP2C19CPN1CPB2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0983228-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-08-07 EP disclosed
US-20020065230-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-05-30 US disclosed
EP-0983228-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-03-08 EP disclosed
WO-1998050342-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-12 WO 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-20020065230-A1 Protease inhibitors PRSS1, DNPEP, CTSZ CYP2C19 1808/4885PTGS2 625/4885CPN1 30/4885

“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.