SCHEMBL2489859

SCHEMBL2489859

CCCCC[C@@H](C)S(N)(=O)=O

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.59
OPRM1 P35372 1/20 0.54
CA2 P00918 13/20 0.50
SPHK1 Q9NYA1 1/20 0.45
LAP3 P28838 2/20 0.43
CA1 P00915 7/20 0.41
CA9 Q16790 7/20 0.41
CA12 O43570 2/20 0.40
CA3 P07451 2/20 0.40
CA4 P22748 2/20 0.40
CA6 P23280 2/20 0.40
CA5A P35218 2/20 0.40
CA7 P43166 2/20 0.40
CA14 Q9ULX7 2/20 0.40
CA5B Q9Y2D0 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
SCHEMBL276251 1.00 TP53 (0.59) TP53OPRM1CA2SPHK1LAP3
SCHEMBL276560 0.98 TP53 (0.57) TP53OPRM1CA2SPHK1LAP3
SCHEMBL277153 0.98 TP53 (0.57) TP53OPRM1CA2SPHK1LAP3
SCHEMBL8354220 0.98 TP53 (0.57) TP53OPRM1CA2SPHK1LAP3
SCHEMBL11876775 0.98 TP53 (0.57) TP53OPRM1CA2SPHK1LAP3
SCHEMBL5882600 0.98 TP53 (0.57) TP53OPRM1CA2SPHK1LAP3
SCHEMBL28997915 0.98 TP53 (0.57) TP53OPRM1CA2SPHK1LAP3
SCHEMBL222613 0.93 TP53 (0.50) TP53OPRM1CA2SPHK1CA1
Trifluoroacetic Acid SCHEMBL28897088 0.84 TP53 (0.49) TP53OPRM1CA2
SCHEMBL222996 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951663-B1 (R)-ARYLKYLAMINO DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPÉ FARMACEUTICI S P A (IT) 2016-07-20 EP disclosed
US-8026367-B2 (R)-arylalkylamino derivatives and pharmaceutical compositions containing them DOMPE PHA.R.MA S.P.A. (IT) 2011-09-27 US disclosed
US-20090124664-A1 (R)-Arylalkylamino Derivatives and Pharmaceutical Compositions Containing Them DOMPÉ FARMACEUTICI S.P.A. (IT) 2009-05-14 US 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-20090124664-A1 (R)-Arylalkylamino Derivatives and Pharmaceutical Compositions Containing Them C3AR1, C5AR1, CCR8 TP53 3570/4885OPRM1 1069/4885CA2 4784/4885

“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.