SCHEMBL4030619

SCHEMBL4030619

CCOC(=O)c1c[nH]c2ccc(OCc3ccccc3)cc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.63
GABRA1 P14867 5/20 0.61
GABRA3 P34903 4/20 0.61
GABRG2 P18507 3/20 0.61
GABRB3 P28472 3/20 0.61
GABRA5 P31644 3/20 0.61
GABRA2 P47869 3/20 0.61
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
GABRB2 P47870 3/20 0.59
HSP90AA1 P07900 2/20 0.59
GABRB1 P18505 2/20 0.59
ALDH1A1 P00352 2/20 0.57
HPGD P15428 2/20 0.57
MDH2 P40926 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
NMT1 P30419 4/20 0.56
NMT2 O60551 1/20 0.56
HSP90AB1 P08238 1/20 0.55
LTA4H P09960 1/20 0.55

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
SCHEMBL4906659 0.92 GABRA1 (0.71) TRPM8GABRA1GABRA3GABRG2GABRB3
SCHEMBL2811774 0.91 ALDH1A1 (0.66) TRPM8GABRA1GABRA3GABRG2GABRB3
SCHEMBL11620503 0.89 TRPM8 (0.61) TRPM8GABRA1GABRA3GABRG2GABRB3
SCHEMBL9023222 0.88 NR4A2 (0.66) TRPM8MEN1KMT2AHSP90AA1ALDH1A1
SCHEMBL28123392 0.86 TRPM8 (0.60) TRPM8MEN1KMT2AHSP90AA1ALDH1A1
SCHEMBL6764594 0.85 MAOB (0.61) TRPM8MEN1KMT2AHSP90AA1ALDH1A1
SCHEMBL4176704 0.85 MDH2 (0.76) GABRA1GABRA3MEN1KMT2AGABRB2
SCHEMBL4976948 0.85 ALDH1A1 (0.56) TRPM8MEN1KMT2AHSP90AA1ALDH1A1
SCHEMBL853558 0.83 TRPM8 (0.55) TRPM8GABRA1GABRA3GABRG2GABRB3
SCHEMBL11602121 0.83 ALDH1A1 (0.61) TRPM8MEN1KMT2AHSP90AA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1171428-B1 FAB I INHIBITORS AFFINIUM PHARM INC (CA) 2009-06-17 EP disclosed
EP-1171428-A4 FAB I INHIBITORS AFFINIUM PHARM INC (CA) 2004-09-15 EP disclosed
US-6765005-B2 BACTERICIDES; ENZYME INHIBITORS AFFINIUM PHARMACEUTICALS, INC. (CA) 2004-07-20 US disclosed
US-20030139377-A1 Fab I inhibitors SMITHKLINE BEECHAM CORPORATION 2003-07-24 US disclosed
US-6503903-B1 Administering 3-oxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-carboxamide derivative SMITHKLINE BEECHAM CORPORATION 2003-01-07 US disclosed
EP-1171428-A1 FAB I INHIBITORS SmithKline Beecham Corporation (US) 2002-01-16 EP disclosed
WO-2000063187-A1 FAB I INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-10-26 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-20030139377-A1 Fab I inhibitors SERPINB1, TFPI, TFPI2 TRPM8 4452/4885GABRA1 1916/4885GABRA3 2632/4885

“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.