SCHEMBL1799114

SCHEMBL1799114

CCc1sc(C(=O)N(C)OC)cc1-c1ccc(C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 1/20 0.44
SELE P16581 1/20 0.44
CLK1 P49759 1/20 0.43
DYRK1A Q13627 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
HSD17B1 P14061 5/20 0.36
HSD17B2 P37059 5/20 0.36
MAPT P10636 3/20 0.34
ALDH1A1 P00352 4/20 0.33
GAA P10253 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
OPRD1 P41143 1/20 0.33
TRPM8 Q7Z2W7 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
PKM P14618 1/20 0.33
MAPK14 Q16539 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL1798551 0.81 CLK1 (0.42) ICAM1SELECLK1DYRK1ADYRK1B
SCHEMBL1797134 0.79 CLK1 (0.42) CLK1DYRK1ADYRK1BHSD17B1HSD17B2
SCHEMBL1799111 0.76 ALDH1A1 (0.39) MAPTALDH1A1HSD17B10TSHRMAPK1
SCHEMBL10238997 0.69 CLK1 (0.62) ICAM1SELECLK1DYRK1ADYRK1B
SCHEMBL10239002 0.69 CLK1 (0.74) ICAM1SELECLK1DYRK1ADYRK1B
SCHEMBL1800414 0.68 S1PR1 (0.39) MAPTALDH1A1TRPM8
SCHEMBL9152657 0.68 MLYCD (0.53) HSD17B1HSD17B2MAPTALDH1A1GAA
SCHEMBL1802291 0.67 PLAU (0.47) DYRK1AALDH1A1HSD17B10L3MBTL1KDM4E
SCHEMBL14594121 0.67 CLK1 (0.54) ICAM1SELECLK1DYRK1ADYRK1B
SCHEMBL23480396 0.66 CLK1 (0.58) ICAM1SELECLK1DYRK1ADYRK1B

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-7951794-B2 Thiophene derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2011-05-31 US disclosed
US-20100075946-A1 NOVEL THIOPHENE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-03-25 US disclosed
EP-1896446-A1 NOVEL THIOPHENE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2008-03-12 EP disclosed
WO-2006137019-A1 NOVEL THIOPHENE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2006-12-28 WO 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 (1 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-20100075946-A1 NOVEL THIOPHENE DERIVATIVES TPMT, TSLP, NFATC1 ICAM1 961/4885SELE 152/4885CLK1 4567/4885

“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.