SCHEMBL1802291

SCHEMBL1802291

CCc1sc(C(=O)O)cc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.47
C1S P09871 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PLK4 O00444 1/20 0.47
AURKA O14965 1/20 0.47
DAPK3 O43293 1/20 0.47
CHEK2 O96017 1/20 0.47
CDK1 P06493 1/20 0.47
PIM1 P11309 1/20 0.47
PRKACA P17612 1/20 0.47
CDK2 P24941 1/20 0.47
MAPK9 P45984 1/20 0.47
CSNK1D P48730 1/20 0.47
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
RPS6KA3 P51812 1/20 0.47
CSNK2A1 P68400 1/20 0.47
DYRK1A Q13627 1/20 0.47
AURKB Q96GD4 1/20 0.47
PLK3 Q9H4B4 1/20 0.47

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
SCHEMBL1801548 0.89 PLAU (0.46) PLAUC1SHSD17B10L3MBTL1ALDH1A1
SCHEMBL2323109 0.88 L3MBTL1 (0.53) PLAUC1SHSD17B10L3MBTL1ALDH1A1
SCHEMBL27554908 0.81 C1S (0.74) PLAUC1SL3MBTL1ALDH1A1KDM4E
SCHEMBL1797326 0.77 KDM4E (0.55) PLAUC1SHSD17B10PLK4AURKA
SCHEMBL3728328 0.76 GPR35 (0.46)
SCHEMBL10088560 0.76 OPRD1 (0.47) HSD17B10L3MBTL1ALDH1A1KDM4EMEN1
SCHEMBL1798930 0.76 BCHE (0.43) PLAUC1SHSD17B10L3MBTL1ALDH1A1
SCHEMBL1798929 0.76 BCHE (0.43) PLAUC1SHSD17B10L3MBTL1ALDH1A1
SCHEMBL10088519 0.76 CYP2A6 (0.42) PLAUC1SHSD17B10L3MBTL1ALDH1A1
SCHEMBL1825175 0.75 MAPK14 (0.60) HSD17B10PLK4AURKADAPK3CHEK2

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
CN-101203503-B Novel thiophene derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2011-12-28 CN disclosed
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
CN-101203503-A Novel thiophene derivatives ACTELION PHARMACEUTICALS LTD (CH) 2008-06-18 CN 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 PLAU 4771/4885C1S 3899/4885HSD17B10 4393/4885

“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.