SCHEMBL2960355

SCHEMBL2960355

CCOC(=O)c1sc2c(ccc(=O)n2CC2CCCCO2)c1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.42
TSHR P16473 3/20 0.42
HSD17B10 Q99714 4/20 0.41
HPGD P15428 4/20 0.41
MAPK1 P28482 3/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 9/20 0.41
TP53 P04637 2/20 0.41
GAA P10253 5/20 0.39
TDP1 Q9NUW8 3/20 0.39
RAB9A P51151 2/20 0.39
TNF P01375 1/20 0.39
ATM Q13315 1/20 0.39
NOD2 Q9HC29 1/20 0.39
NOD1 Q9Y239 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
NPC1 O15118 1/20 0.38
KDM4E B2RXH2 4/20 0.38
KMT2A Q03164 3/20 0.38

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
SCHEMBL1266481 0.85 CNR2 (0.40) SMN1; SMN2TSHRHSD17B10MAPK1HTT
SCHEMBL6036420 0.83 CNR2 (0.39) TSHRHSD17B10MAPK1HTTALDH1A1
SCHEMBL12895308 0.80 ALDH1A1 (0.42) SMN1; SMN2TSHRHPGDMAPK1HTT
SCHEMBL2954048 0.80 ALDH1A1 (0.43) FEN1SMN1; SMN2TSHRHSD17B10HPGD
SCHEMBL2958441 0.74 ALDH1A1 (0.55) SMN1; SMN2TSHRMAPK1ALDH1A1GAA
SCHEMBL12895309 0.74 RXFP1 (0.43) SMN1; SMN2TSHRHSD17B10HPGDHTT
SCHEMBL2953760 0.72 ADORA2B (0.43) SMN1; SMN2TSHRHSD17B10HPGDHTT
SCHEMBL1265770 0.72 ALDH1A1 (0.50) SMN1; SMN2HSD17B10HPGDHTTALDH1A1
SCHEMBL5647564 0.71 MAPK8 (0.47) SMN1; SMN2HSD17B10HPGDHTTALDH1A1
SCHEMBL12922021 0.71 KDM4E (0.38) SMN1; SMN2TSHRHSD17B10HPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 FEN1 2440/4885SMN1; SMN2 3637/4885TSHR 1046/4885
US-20090042877-A1 Bicyclic Heteroaromatic Derivatives MAPK1, CNKSR1, CBR1 FEN1 2294/4885SMN1; SMN2 3472/4885TSHR 1480/4885

“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.