Sugi Predict

Sugi Predict / Compounds / SCHEMBL1266636

SCHEMBL1266636

SCHEMBL1266636

N#Cc1ccccc1Nc1c(C(=O)Oc2c(F)c(F)c(F)c(F)c2F)sc2c1ccc(=O)n2-c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.36
▸ USP2 O75604 2/20 0.35
▸ ALDH1A1 P00352 6/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ NLRP3 Q96P20 1/20 0.32
▸ MEN1 O00255 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ HPGD P15428 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ APEX1 P27695 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ STK4 Q13043 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ MAPT P10636 1/20 0.32

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
SCHEMBL1266311 0.86 MAPT (0.43) ALDH1A1GAANLRP3MEN1KMT2A
SCHEMBL1265882 0.84 USP2 (0.37) LMNAUSP2ALDH1A1HSD17B10GAA
SCHEMBL2960720 0.83 ALDH1A1 (0.39) LMNAALDH1A1GAANLRP3MEN1
SCHEMBL2954063 0.83 USP2 (0.37) LMNAUSP2ALDH1A1HSD17B10GAA
SCHEMBL1266234 0.83 ALDH1A1 (0.39) LMNAALDH1A1GAATP53KDM4E
Lithium Ion SCHEMBL1265878 0.82 USP2 (0.36) LMNAUSP2ALDH1A1HSD17B10GAA
SCHEMBL2960764 0.80 LMNA (0.38) LMNAUSP2ALDH1A1TP53MEN1
SCHEMBL1266727 0.79 DHODH (0.34) LMNAALDH1A1MEN1KMT2ANPSR1
SCHEMBL3139324 0.79 FNTA (0.39) LMNAALDH1A1GAATP53NLRP3
SCHEMBL2953715 0.78 MAPT (0.40) ALDH1A1GAANLRP3MEN1KMT2A

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 LMNA 3754/4885USP2 1405/4885ALDH1A1 4333/4885
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 LMNA 3606/4885USP2 3294/4885ALDH1A1 2989/4885

“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.