SCHEMBL6776702

SCHEMBL6776702

CSCC[C@H](NC(=O)c1ccc(C=Cc2cncc(Br)c2)cc1-c1ccccc1)C(=O)O.[Na]

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FNTA P49354 16/20 0.71
FNTB P49356 16/20 0.71
USP2 O75604 1/20 0.56
ALDH1A1 P00352 1/20 0.56
TP53 P04637 1/20 0.56
ALOX15 P16050 1/20 0.56
MAPK1 P28482 1/20 0.56

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
SCHEMBL7607759 0.99 FNTA (0.72) FNTAFNTBUSP2ALDH1A1TP53
SCHEMBL7607764 0.99 FNTA (0.72) FNTAFNTBUSP2ALDH1A1TP53
SCHEMBL6776699 0.98 FNTA (0.71) FNTAFNTBUSP2ALDH1A1TP53
SCHEMBL6776694 0.91 FNTA (0.62) FNTAFNTBUSP2ALDH1A1TP53
SCHEMBL6775449 0.88 FNTA (0.82) FNTAFNTB
SCHEMBL7605119 0.87 FNTA (0.71) FNTAFNTB
SCHEMBL7605122 0.87 FNTA (0.71) FNTAFNTB
SCHEMBL7604169 0.86 FNTA (0.84) FNTAFNTB
SCHEMBL7604173 0.86 FNTA (0.84) FNTAFNTB
Hydrochloric Acid SCHEMBL6774633 0.86 FNTA (0.70) FNTAFNTB

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 3 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

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 FNTA 20/4885FNTB 2/4885USP2 958/4885

“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.