SCHEMBL7067202

SCHEMBL7067202

COc1cc(Cl)cc(OC)c1C1=C(C(=O)O)N(Cc2ccc3c(c2)OCO3)S(=O)(=O)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
HTT P42858 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
HCRTR2 O43614 1/20 0.45
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
EDNRA P25101 4/20 0.43
EDNRB P24530 3/20 0.43
MCHR1 Q99705 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 1/20 0.42
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 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
HPGD P15428 2/20 0.40

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
SCHEMBL7828437 0.89 ALDH1A1 (0.47) ALDH1A1HTTL3MBTL1HCRTR2MAPT
SCHEMBL7071208 0.87 ALDH1A1 (0.47) ALDH1A1HTTL3MBTL1HCRTR2MAPT
SCHEMBL7071566 0.86 ALDH1A1 (0.48) ALDH1A1HTTL3MBTL1HCRTR2LMNA
SCHEMBL7069387 0.86 EDNRA (0.51) ALDH1A1HTTL3MBTL1HCRTR2LMNA
SCHEMBL7069884 0.83 GAA (0.48) ALDH1A1HTTL3MBTL1HCRTR2MAPT
SCHEMBL7065442 0.83 ALDH1A1 (0.54) ALDH1A1HTTL3MBTL1MAPTLMNA
SCHEMBL7068563 0.83 EDNRB (0.53) ALDH1A1HTTL3MBTL1MAPTEDNRA
SCHEMBL7065776 0.82 EDNRA (0.50) ALDH1A1HTTL3MBTL1MAPTLMNA
SCHEMBL7069879 0.81 EDNRA (0.47) ALDH1A1HTTL3MBTL1EDNRAEDNRB
SCHEMBL7071205 0.81 ALDH1A1 (0.51) ALDH1A1HTTL3MBTL1MAPTLMNA

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
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
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.