SCHEMBL12373216

SCHEMBL12373216

COC(=O)c1ccc(NC(=O)CC(CN)c2ccccc2)cc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FNTA P49354 12/20 0.46
FNTB P49356 12/20 0.46
GABBR2 O75899 1/20 0.43
GABBR1 Q9UBS5 1/20 0.43
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
SLC1A3 P43003 3/20 0.41
SLC1A2 P43004 3/20 0.41
SLC1A1 P43005 3/20 0.41
CASR P41180 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
SCHEMBL12373210 0.91 MAPT (0.45) FNTAFNTBGABBR2GABBR1ALDH1A1
SCHEMBL12617086 0.85 FNTA (0.45) FNTAFNTBALDH1A1HPGDCASR
SCHEMBL16221618 0.81 TDP1 (0.47) FNTAFNTBGABBR2GABBR1
SCHEMBL12373215 0.77 MAPT (0.43) FNTAFNTBALDH1A1HPGD
SCHEMBL1998497 0.76 FNTA (0.54) FNTAFNTBGABBR2GABBR1ALDH1A1
SCHEMBL24579667 0.75 KMT2A (0.64) ALDH1A1
SCHEMBL2001935 0.73 FNTA (0.50) FNTAFNTBALDH1A1
SCHEMBL2001988 0.73 RAB9A (0.57) FNTAFNTBALDH1A1CASR
SCHEMBL29775255 0.71 LOXL2 (0.51) ALDH1A1HPGD
SCHEMBL24579101 0.71 LOXL2 (0.51) ALDH1A1HPGD

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-20110201576-A1 Small molecule inhibitors of stat3 with anti-tumor activity H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE (US) 2011-08-18 US disclosed
US-7960434-B2 Small molecule inhibitors of STAT3 with anti-tumor activity UNIVERSITY OF SOUTH FLORIDA (US) 2011-06-14 US disclosed
US-20090069420-A1 Small molecule inhibitors of STAT3 with anti-tumor activity H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE (US) 2009-03-12 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 (2 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-20110201576-A1 Small molecule inhibitors of stat3 with anti-tumor activity STAT3, STAT1, STAT5A FNTA 2310/4885FNTB 1660/4885GABBR2 4571/4885
US-20090069420-A1 Small molecule inhibitors of STAT3 with anti-tumor activity STAT3, STAT1, STAT5A FNTA 2310/4885FNTB 1660/4885GABBR2 4571/4885

“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.