SCHEMBL4065446

SCHEMBL4065446

COc1cccc(Oc2c(Cl)nc(N3CCOCC3)nc2C(N)=O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.51
CSF1R P07333 2/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
HSD17B10 Q99714 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPT P10636 2/20 0.43
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
PTPN11 Q06124 2/20 0.41

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
SCHEMBL4064654 0.87 L3MBTL1 (0.52) PIK3CAL3MBTL1HSD17B10CYP1A2CYP3A4
SCHEMBL6586303 0.85 HTT (0.43) PIK3CAL3MBTL1HSD17B10CYP1A2CYP2C9
SCHEMBL4065449 0.84 PIK3CA (0.48) PIK3CAL3MBTL1HSD17B10CYP1A2CYP3A4
SCHEMBL4062179 0.84 EDNRA (0.48) PIK3CACSF1RL3MBTL1HSD17B10CYP1A2
SCHEMBL7850537 0.78 EDNRA (0.49) PIK3CAL3MBTL1MAPK1MAPTHTT
SCHEMBL4059458 0.78 L3MBTL1 (0.52) PIK3CAL3MBTL1HSD17B10CYP1A2CYP3A4
SCHEMBL7851363 0.76 EDNRA (0.51) PIK3CAL3MBTL1MAPK1MAPTHTT
SCHEMBL7849630 0.76 EDNRA (0.49) PIK3CAL3MBTL1CYP1A2MAPK1CYP2C19
SCHEMBL7850718 0.76 EDNRA (0.47) PIK3CAL3MBTL1MAPK1MAPTHTT
SCHEMBL4062185 0.73 DHPS (0.51) PIK3CACSF1RL3MBTL1HSD17B10CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1322624-B1 ARYLALKANE-SULFONAMIDES HAVING ENDOTHELIN-ANTAGONIST ACTIVITY ACTELION PHARMACEUTICALS LTD (CH) 2009-10-21 EP disclosed
US-7091201-B2 Arylalkane-sulfonamides having endothelin-antagonist activity ACTELION PHARMACEUTICALS LTD. (CH) 2006-08-15 US disclosed
US-20040102464-A1 Arylalkane-sulfonamides having endothelin-antagonist activity ACTELION PHARMACEUTICALS LTD. (CH) 2004-05-27 US disclosed
EP-1322624-A1 ARYLALKANE-SULFONAMIDES HAVING ENDOTHELIN-ANTAGONIST ACTIVITY Actelion Pharmaceuticals Ltd. (CH) 2003-07-02 EP disclosed
WO-2002024665-A1 ARYLALKANE-SULFONAMIDES HAVING ENDOTHELIN-ANTAGONIST ACTIVITY ACTELION PHARMACEUTICALS LTD (CH) 2002-03-28 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-20040102464-A1 Arylalkane-sulfonamides having endothelin-antagonist activity EDNRA, EDNRB, ECE2 PIK3CA 1980/4885CSF1R 901/4885L3MBTL1 4881/4885

“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.