SCHEMBL1799111

SCHEMBL1799111

CCc1sc(C(=O)NCOC)cc1-c1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
USP2 O75604 1/20 0.38
NPC1 O15118 2/20 0.38
EP300 Q09472 1/20 0.37
RAB9A P51151 2/20 0.37
PPARG P37231 1/20 0.37
NCOA2 Q15596 1/20 0.37
NCOA1 Q15788 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPT P10636 3/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 2/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL1798545 0.81 KDM4E (0.41) ALDH1A1KDM4EHPGDUSP2NPC1
SCHEMBL1797130 0.79 RXFP1 (0.47) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL1801983 0.78 MAPK14 (0.42) ALDH1A1KDM4EHPGDUSP2RAB9A
SCHEMBL1799114 0.76 ICAM1 (0.44) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL2323109 0.70 L3MBTL1 (0.53) ALDH1A1KDM4EHPGDNPSR1SMN1; SMN2
SCHEMBL1800414 0.68 S1PR1 (0.39) ALDH1A1MAPTTP53
SCHEMBL1802291 0.66 PLAU (0.47) ALDH1A1KDM4EHPGDRAB9ALMNA
SCHEMBL1801548 0.65 PLAU (0.46) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL16340590 0.65 CHRM4 (0.46) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL4108626 0.64 HDAC1 (0.63) ALDH1A1KDM4EHPGDNPC1RAB9A

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 ALDH1A1 2314/4885KDM4E 1127/4885HPGD 2698/4885

“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.