SCHEMBL692511

SCHEMBL692511

CCCCCC(C)CC(O)=S

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.48
OPRM1 P35372 1/20 0.41
GPR84 Q9NQS5 7/20 0.41
CA1 P00915 2/20 0.39
SPHK1 Q9NYA1 1/20 0.39
FFAR1 O14842 1/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
TP53 P04637 1/20 0.38
LCK P06239 1/20 0.38
PPARD Q03181 1/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38
FDPS P14324 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35

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
SCHEMBL9514194 0.98 ACE2 (0.52) ACE2OPRM1GPR84SPHK1FFAR1
SCHEMBL11303854 0.98 ACE2 (0.52) ACE2OPRM1GPR84SPHK1FFAR1
SCHEMBL9355713 0.89 ACE2 (0.44) ACE2OPRM1GPR84SPHK1FFAR1
SCHEMBL9355726 0.89 ACE2 (0.44) ACE2OPRM1GPR84SPHK1FFAR1
SCHEMBL9355689 0.89 ACE2 (0.44) ACE2OPRM1GPR84SPHK1FFAR1
SCHEMBL9359936 0.89 ACE2 (0.44) ACE2OPRM1GPR84SPHK1FFAR1
SCHEMBL9356204 0.89 ACE2 (0.44) ACE2OPRM1GPR84SPHK1FFAR1
SCHEMBL9355883 0.89 ACE2 (0.44) ACE2OPRM1GPR84SPHK1FFAR1
SCHEMBL9359301 0.89 ACE2 (0.44) ACE2OPRM1GPR84SPHK1FFAR1
SCHEMBL9355813 0.89 ACE2 (0.44) ACE2OPRM1GPR84SPHK1FFAR1

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
EP-1606248-B1 SULFONIC ACIDS, THEIR DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE SPA (IT) 2012-02-29 EP disclosed
US-7737139-B2 Sulfonic acids, their derivatives and pharmaceutical compositions containing them DOMPE PHA.R.MA S.P.A. (IT) 2010-06-15 US disclosed
US-20060258730-A1 Sulfonic acids, their derivatives and pharmaceutical compositions containing them DOMPE S.P.A. (IT) 2006-11-16 US disclosed
EP-1606248-A2 SULFONIC ACIDS, THEIR DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dompé S.P.A. (IT) 2005-12-21 EP disclosed
WO-2004080951-A2 SULFONIC ACIDS, THEIR DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE S.P.A. (IT) 2004-09-23 WO disclosed
EP-1457485-A1 Sulfonic acids, their derivatives and pharmaceutical compositions containing them Dompé S.P.A. (IT) 2004-09-15 EP 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-20060258730-A1 Sulfonic acids, their derivatives and pharmaceutical compositions containing them CCR8, CCR1, CXCR1 ACE2 3538/4885OPRM1 1356/4885GPR84 364/4885

“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.