SCHEMBL6462646

SCHEMBL6462646

O=CCc1ccccc1-c1cccc(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.43
CTSK P43235 3/20 0.43
CTSL P07711 2/20 0.43
ACHE P22303 4/20 0.35
GRK6 P43250 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
HPGD P15428 1/20 0.34
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
LMNA P02545 1/20 0.33
CES2 O00748 1/20 0.33
BCHE P06276 1/20 0.33
CES1 P23141 1/20 0.33
CCNE2 O96020 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL1515819 0.87 ACHE (0.38) CTSSCTSKCTSLACHETAAR1
SCHEMBL1807270 0.83 CES2 (0.39) CTSSCTSKCTSLTAAR1LMNA
SCHEMBL1980395 0.81 CES2 (0.38) CTSSCTSKCTSLTAAR1LMNA
SCHEMBL3905360 0.79 GNRHR (0.34) CTSSCTSKCTSLACHETAAR1
SCHEMBL30079047 0.78 TAAR1 (0.48) TAAR1LMNAKMT2A
SCHEMBL168715 0.78 TAAR1 (0.48) TAAR1LMNAKMT2A
SCHEMBL7843207 0.76 HPGD (0.45) HPGDMEN1KMT2A
SCHEMBL7621991 0.75 GABRA1 (0.35) ACHEKMT2A
SCHEMBL9890644 0.74 CXCL8 (0.53) GRK6LMNA
SCHEMBL3908257 0.73 GNRHR (0.40) ACHETAAR1HPGD

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
US-6852751-B2 Difluorobutyric acid metalloprotease inhibitors THE PROCTER & GAMBLE COMPANY (US) 2005-02-08 US disclosed
US-20030139453-A1 Difluorobutyric acid metalloprotease inhibitors THE PROCTER & GAMBLE COMPANY 2003-07-24 US disclosed
EP-1265865-A2 DIFLUOROBUTYRIC ACID DERIVATIVES AND THEIR USE AS METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2002-12-18 EP disclosed
WO-2001070693-A2 DIFLUOROBUTYRIC ACID DERIVATIVES AND THEIR USE AS METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2001-09-27 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-20030139453-A1 Difluorobutyric acid metalloprotease inhibitors DPEP1, TMPRSS15, FAP CTSS 126/4885CTSK 185/4885CTSL 179/4885

“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.