SCHEMBL4062185

SCHEMBL4062185

COc1cccc(Oc2c(N)nc(N3CCOCC3)nc2OCCO)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHPS P49366 7/20 0.51
EDNRA P25101 1/20 0.48
TSHR P16473 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PIK3CA P42336 3/20 0.43
CSF1R P07333 1/20 0.43
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SRC P12931 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4D Q08499 1/20 0.42

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
SCHEMBL4062179 0.89 EDNRA (0.48) DHPSEDNRATSHRCYP1A2CYP3A4
SCHEMBL4068803 0.84 DHPS (0.61) DHPSEDNRA
SCHEMBL4065449 0.81 PIK3CA (0.48) DHPSTSHRCYP1A2CYP3A4CYP2C9
SCHEMBL4059458 0.78 L3MBTL1 (0.52) TSHRCYP1A2CYP3A4CYP2C9MAPK1
SCHEMBL4064654 0.75 L3MBTL1 (0.52) TSHRCYP1A2CYP3A4CYP2C9MAPK1
SCHEMBL4066610 0.74 EDNRB (0.56) DHPSEDNRAHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL4068802 0.74 DHPS (0.50) DHPSEDNRA
SCHEMBL4065446 0.73 PIK3CA (0.51) TSHRCYP1A2CYP3A4CYP2C9MAPK1
SCHEMBL5764480 0.73 LMNA (0.46) DHPSCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7849615 0.72 EDNRA (0.51) EDNRATSHRMAPK1L3MBTL1PIK3CA

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 DHPS 1235/4885EDNRA 1/4885TSHR 475/4885

“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.