SCHEMBL6940934

SCHEMBL6940934

CCOC(=O)C(Cc1cc2c(cc1Cl)OCO2)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.42
CYP2C9 P11712 3/20 0.42
RAB9A P51151 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
NPC1 O15118 2/20 0.42
HTT P42858 1/20 0.42
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SLC22A12 Q96S37 1/20 0.39
KDM4E B2RXH2 1/20 0.38
DUSP3 P51452 1/20 0.38
PTPN5 P54829 1/20 0.38
CASP6 P55212 1/20 0.38
PTPN11 Q06124 1/20 0.38
CTDSP1 Q9GZU7 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
SCHEMBL6943904 0.94 CYP3A4 (0.44) CYP3A4CYP2C9RAB9ACYP1A2CYP2D6
SCHEMBL10871043 0.91 CYP3A4 (0.46) CYP3A4CYP2C9RAB9ACYP1A2CYP2D6
SCHEMBL8478679 0.88 RAB9A (0.41) CYP3A4CYP2C9RAB9ACYP1A2CYP2D6
SCHEMBL6959077 0.83 HPGD (0.41) CYP3A4CYP2C9RAB9ACYP1A2CYP2D6
SCHEMBL7472228 0.80 CYP1A2 (0.38) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL8480946 0.79 RAB9A (0.41) CYP3A4CYP2C9RAB9ACYP1A2CYP2D6
SCHEMBL7574108 0.78 CYP3A4 (0.56) CYP3A4CYP2C9RAB9ACYP1A2CYP2D6
SCHEMBL8021852 0.78 CYP1A2 (0.40) CYP3A4CYP2C9RAB9ACYP1A2CYP2D6
SCHEMBL6600354 0.77 ALDH1A1 (0.45) CYP3A4CYP2C9RAB9ACYP1A2CYP2D6
SCHEMBL11450832 0.76 CYP3A4 (0.58) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030220392-A1 Fatty acid synthase inhibitors SMITHKLINE BEECHAM CORPORATION 2003-11-27 US disclosed
EP-1299376-A1 FATTY ACID SYNTHASE INHIBITORS Smithkline Beecham (US) 2003-04-09 EP disclosed
EP-1206463-A4 FATTY ACID SYNTHASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2003-01-29 EP disclosed
US-6498187-B1 SUCH AS 2'-(6-CHLOROPIPERONYL)-3-(2,6-DICHLOROBENZYLOXY)-CINNAMIC ACID; ANTIBIOTICS SMITHKLINE BEECHAM CORPORATION 2002-12-24 US disclosed
EP-1206464-A4 FATTY ACID SYNTHASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-12-18 EP disclosed
EP-1206464-A1 FATTY ACID SYNTHASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-05-22 EP disclosed
EP-1206463-A1 FATTY ACID SYNTHASE INHIBITORS SmithKline Beecham Corporation (US) 2002-05-22 EP disclosed
WO-2001090099-A1 FATTY ACID SYNTHASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-11-29 WO disclosed
WO-2001014363-A1 FATTY ACID SYNTHASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-03-01 WO disclosed
WO-2001014362-A1 FATTY ACID SYNTHASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-03-01 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-20030220392-A1 Fatty acid synthase inhibitors FASN, FADS1, FADS2 CYP3A4 797/4885CYP2C9 802/4885RAB9A 4471/4885

“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.