SCHEMBL2954048

SCHEMBL2954048

CCOC(=O)c1sc2c(ccc(=O)n2CC2CCCCO2)c1Nc1ccc(F)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
KDM4E B2RXH2 2/20 0.43
FEN1 P39748 1/20 0.39
TP53 P04637 2/20 0.37
THRB P10828 1/20 0.37
TSHR P16473 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 2/20 0.37
MAPK1 P28482 2/20 0.37
MAPK14 Q16539 1/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 2/20 0.36
MAP2K2 P36507 1/20 0.36
MAP2K1 Q02750 1/20 0.36
USP2 O75604 1/20 0.36
ALOX15 P16050 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35

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
SCHEMBL2960077 0.88 MAP2K1 (0.39) ALDH1A1HPGDHSD17B10TP53THRB
SCHEMBL2960355 0.80 FEN1 (0.45) ALDH1A1HPGDHSD17B10KDM4EFEN1
SCHEMBL1266007 0.76 MAPT (0.42) ALDH1A1HPGDHSD17B10KDM4ETP53
SCHEMBL2956902 0.75 MAPK9 (0.41) HTTMAPK14MAPTGAAMAP2K1
SCHEMBL2958991 0.75 ALDH1A1 (0.39) ALDH1A1HPGDHSD17B10KDM4ETHRB
SCHEMBL2958948 0.74 MAPK9 (0.40) MAP2K2MAP2K1
SCHEMBL2958080 0.74 ALDH1A1 (0.42) ALDH1A1HPGDHSD17B10KDM4ETHRB
SCHEMBL2949500 0.74 ALDH1A1 (0.38) ALDH1A1HPGDHSD17B10KDM4ETHRB
SCHEMBL2959249 0.73 ALDH1A1 (0.37) ALDH1A1HPGDHSD17B10KDM4ETHRB
SCHEMBL1265699 0.72 HTR7 (0.32) ALDH1A1HPGDHSD17B10KDM4EMAPK14

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7423047-B2 Arylamine substituted bicyclic heteroaromatic compounds as p38 kinase inhibitors CELLTECH R&D LIMITED (GB) 2008-09-09 US claimed
US-20060004025-A1 Arylamine substututed bicyclic heteroaromatic compounds as p38 kinase inhibitors UCB PHARMA S.A. (BE) 2006-01-05 US claimed
US-7763729-B2 Bicyclic heteroaromatic derivatives UCB PHARMA S.A. (BE) 2010-07-27 US disclosed
US-20090042877-A1 Bicyclic Heteroaromatic Derivatives CELLTECH R&D LIMITED (GB) 2009-02-12 US disclosed
US-7423047-B2 Arylamine substituted bicyclic heteroaromatic compounds as p38 kinase inhibitors CELLTECH R&D LIMITED (GB) 2008-09-09 US disclosed
US-20060004025-A1 Arylamine substututed bicyclic heteroaromatic compounds as p38 kinase inhibitors UCB PHARMA S.A. (BE) 2006-01-05 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-20060004025-A1 Arylamine substututed bicyclic heteroaromatic compounds as p38 kinase inhibitors MAPK1, CNKSR1, ALK ALDH1A1 1045/4885HPGD 3282/4885HSD17B10 2273/4885
US-20090042877-A1 Bicyclic Heteroaromatic Derivatives MAPK1, CNKSR1, CBR1 ALDH1A1 717/4885HPGD 3563/4885HSD17B10 2263/4885

“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.