SCHEMBL7071208

SCHEMBL7071208

COc1cc(Cl)cc(OC)c1SC1=C(C(=O)O)N(Cc2ccc3c(c2)OCO3)S(=O)(=O)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
HTT P42858 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
EDNRB P24530 11/20 0.44
EDNRA P25101 11/20 0.44
MAPT P10636 1/20 0.43
HCRTR2 O43614 1/20 0.43
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
HTR7 P34969 1/20 0.41
HTR6 P50406 1/20 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
SCHEMBL7824686 0.89 ALDH1A1 (0.44) ALDH1A1HTTL3MBTL1EDNRBEDNRA
SCHEMBL7067202 0.87 ALDH1A1 (0.47) ALDH1A1HTTL3MBTL1EDNRBEDNRA
SCHEMBL7067319 0.86 EDNRB (0.55) ALDH1A1HTTL3MBTL1EDNRBEDNRA
SCHEMBL7065375 0.86 EDNRB (0.55) ALDH1A1HTTL3MBTL1EDNRBEDNRA
SCHEMBL7068365 0.83 EDNRB (0.58) ALDH1A1HTTL3MBTL1EDNRBEDNRA
SCHEMBL7071220 0.83 ALDH1A1 (0.54) ALDH1A1HTTL3MBTL1EDNRBEDNRA
SCHEMBL7066520 0.83 EDNRB (0.46) ALDH1A1HTTL3MBTL1EDNRBEDNRA
SCHEMBL7065702 0.82 EDNRB (0.51) ALDH1A1HTTL3MBTL1EDNRBEDNRA
SCHEMBL7069871 0.82 EDNRB (0.46) ALDH1A1HTTL3MBTL1EDNRBEDNRA
SCHEMBL7068590 0.81 ALDH1A1 (0.51) ALDH1A1HTTL3MBTL1EDNRBEDNRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030232787-A1 Combinations of an endothelin receptor antagonist and an antiepileptic compound having pain alleviating properties or analgesic DOOLEY DAVID JAMES (US) 2003-12-18 US claimed
EP-0811001-B1 BENZOTHIAZINE DIOXIDES AS ENDOTHELIN ANTAGONISTS WARNER LAMBERT CO (US) 2001-10-31 EP claimed
WO-1996026195-A1 BENZOTHIAZINE DIOXIDES AS ENDOTHELIN ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1996-08-29 WO claimed
US-20030232787-A1 Combinations of an endothelin receptor antagonist and an antiepileptic compound having pain alleviating properties or analgesic DOOLEY DAVID JAMES (US) 2003-12-18 US disclosed
EP-0811001-B1 BENZOTHIAZINE DIOXIDES AS ENDOTHELIN ANTAGONISTS WARNER LAMBERT CO (US) 2001-10-31 EP disclosed
EP-0811001-A1 BENZOTHIAZINE DIOXIDES AS ENDOTHELIN ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1997-12-10 EP disclosed
WO-1996026195-A1 BENZOTHIAZINE DIOXIDES AS ENDOTHELIN ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1996-08-29 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-20030232787-A1 Combinations of an endothelin receptor antagonist and an antiepileptic compound having pain alleviating properties or analgesic EDNRA, EDNRB, ECE1 ALDH1A1 3140/4885HTT 1772/4885L3MBTL1 4352/4885

“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.