SCHEMBL6775709

SCHEMBL6775709

COC(=O)c1cc(-c2ccccc2C)c(C(=O)OC)cc1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
CFTR P13569 5/20 0.51
HSD17B10 Q99714 3/20 0.51
KDM4E B2RXH2 4/20 0.49
GAA P10253 4/20 0.47
MAPT P10636 4/20 0.47
HPGD P15428 3/20 0.47
GLA P06280 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
ATM Q13315 1/20 0.47
ABL1 P00519 1/20 0.46
TSHR P16473 2/20 0.45
ALOX15 P16050 1/20 0.45
SLC6A3 Q01959 4/20 0.42
SLC6A4 P31645 3/20 0.42
NR4A2 P43354 1/20 0.42
SLC6A2 P23975 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL7915060 0.82 GAA (0.55) ALDH1A1CFTRHSD17B10KDM4EGAA
SCHEMBL6780722 0.82 SLC6A3 (0.42) ALDH1A1CFTRHSD17B10KDM4EMAPT
SCHEMBL12117537 0.81 ALDH1A1 (0.54) ALDH1A1CFTRHSD17B10KDM4EGAA
SCHEMBL27717289 0.79 ALDH1A1 (0.51) ALDH1A1CFTRHSD17B10KDM4EGAA
SCHEMBL9549 0.79 SLC6A3 (0.57) ALDH1A1CFTRHSD17B10KDM4EMAPT
SCHEMBL6776274 0.78 MCL1 (0.43) KDM4EMAPTHPGDTSHRSLC6A3
SCHEMBL4758833 0.78 KDM4E (0.73) ALDH1A1CFTRHSD17B10KDM4EGAA
SCHEMBL28250780 0.77 SLC6A3 (0.49) ALDH1A1CFTRHSD17B10KDM4EGAA
SCHEMBL38659300 0.77 SLC6A3 (0.49) ALDH1A1CFTRHSD17B10KDM4EGAA
SCHEMBL2267132 0.77 SLC6A3 (0.51) ALDH1A1CFTRHSD17B10KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6693123-B2 (4-(3-PYRIDYLAMINOMETHYLENE)-2-PHENYLBENZOYL)-N -METHYLMETHIONINE, METHYL ESTER FOR EXAMPLE; RESTENOSIS, HYPERPLASIA UNIVERSITY OF PITTSBURGH 2004-02-17 US disclosed
EP-0873123-B1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIV PITTSBURGH (US) 2003-04-09 EP disclosed
US-20020193596-A1 Inhibitors of protein isoprenyl transferases UNIVERSITY OF PITTSBURGH (US) 2002-12-19 US disclosed
EP-0873123-A4 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIV PITTSBURGH (US) 1999-02-03 EP disclosed
EP-0873123-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1998-10-28 EP disclosed
WO-1997017070-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1997-05-15 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-20020193596-A1 Inhibitors of protein isoprenyl transferases LANCL1, FNTB, DHCR7 ALDH1A1 1121/4885CFTR 3119/4885HSD17B10 37/4885

“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.