SCHEMBL1266599

SCHEMBL1266599

O=C(c1sc2c(ccc(=O)n2-c2ccccc2)c1Br)N1CC(OC2CCCCO2)C1

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.31
HPGD P15428 2/20 0.31
HSD17B10 Q99714 2/20 0.31
USP2 O75604 1/20 0.31
ALOX15 P16050 1/20 0.31
DUSP3 P51452 1/20 0.31
POLB P06746 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL1267029 0.86 POLB (0.33) ALDH1A1POLB
SCHEMBL1266607 0.86 POLB (0.33) ALDH1A1POLB
SCHEMBL3830869 0.84 ALDH1A1 (0.35) ALDH1A1HPGDHSD17B10USP2ALOX15
SCHEMBL3830861 0.84 ALDH1A1 (0.35) ALDH1A1HPGDHSD17B10USP2ALOX15
SCHEMBL3830865 0.84 ALDH1A1 (0.35) ALDH1A1HPGDHSD17B10USP2ALOX15
SCHEMBL1266306 0.83 CCNA2 (0.32) POLB
SCHEMBL1267428 0.83 CCNA2 (0.32) POLB
SCHEMBL3113159 0.82 MAPK14 (0.33)
SCHEMBL3113114 0.82 MAPK14 (0.33)
SCHEMBL1267375 0.81 HRH3 (0.33) ALDH1A1HPGDHSD17B10POLB

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-20110034495-A1 Method of Modulating Stress-Activated Protein Kinase System INTERMUNE, INC. (US) 2011-02-10 US disclosed
US-7521460-B2 Thienopyridone derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2009-04-21 US disclosed
US-20070099894-A1 e.g. 3-[(2,4-Difluorophenyl)amino]-2-{[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]carbonyl}-7-phenylthieno[2,3-b]pyridin-6(7H)-one; autoimmune, neurodegenerative disorders, antiinflammatory agent; p38 MAP kinase inhibitor CELLTECH R&D LIMITED (GB) 2007-05-03 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-20110034495-A1 Method of Modulating Stress-Activated Protein Kinase System MAPKAPK2, MAP3K6, MAP3K2 ALDH1A1 4333/4885HPGD 840/4885HSD17B10 4118/4885
US-20070099894-A1 e.g. 3-[(2,4-Difluorophenyl)amino]-2-{[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]carbonyl}-7-phenylthieno[2,3-b]pyridin-6(7H)-one; autoimmune, neurodegenerative disorders, antiinflammatory agent; p38 MAP kinase inhibitor MAPK1, MAPKAPK2, MAPK6 ALDH1A1 2989/4885HPGD 741/4885HSD17B10 4499/4885

“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.