Sugi Predict

Sugi Predict / Compounds / SCHEMBL1266124

SCHEMBL1266124

SCHEMBL1266124

O=C(O)c1sc2c(ccc(=O)n2-c2ccccc2Cl)c1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.39
▸ MCL1 Q07820 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ ALDH1A1 P00352 5/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.35
▸ MAPK14 Q16539 3/20 0.34
▸ MAPK13 O15264 1/20 0.34
▸ MAPK12 P53778 1/20 0.34
▸ MAPK11 Q15759 1/20 0.34
▸ LMNA P02545 4/20 0.33
▸ HPGD P15428 2/20 0.33
▸ HCAR1 Q9BXC0 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NCOA2 Q15596 1/20 0.33
▸ NCOA1 Q15788 1/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL5651272 0.84 MAPK14 (0.39) NOTUMMCL1MAPK1ALDH1A1RXFP1
SCHEMBL1267416 0.83 ALDH1A1 (0.36) MCL1MAPK1ALDH1A1LMNAHPGD
SCHEMBL1266545 0.79 NOTUM (0.34) NOTUMALDH1A1HPGDKMT2ACYP2C9
SCHEMBL1266756 0.78 ALDH1A1 (0.37) ALDH1A1MAPK14MAPK13MAPK12MAPK11
SCHEMBL5648891 0.77 MAP2 (0.40) NOTUMALDH1A1RXFP1MAPK14LMNA
SCHEMBL2782368 0.77 ALDH1A1 (0.35) MAPK1ALDH1A1MAPK14MAPK13MAPK12
SCHEMBL3114677 0.76 MAPK14 (0.38) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2958928 0.75 CXCR2 (0.38) NOTUMMAPK1ALDH1A1RXFP1MAPK14
SCHEMBL1266759 0.74 BCKDK (0.36) NOTUMMAPK1LMNAKMT2AKDM4E
SCHEMBL1267410 0.74 LMNA (0.38) NOTUMMCL1MAPK1ALDH1A1LMNA

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 NOTUM 4548/4885MCL1 884/4885MAPK1 41/4885
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 NOTUM 4585/4885MCL1 2227/4885MAPK1 1/4885

“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.