SCHEMBL2280762

SCHEMBL2280762

CC[C@@H](N[S@+]([O-])C(C)(C)C)c1cc(C)c(Cl)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 13/20 0.39

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
SCHEMBL4937665 0.83 ALDH1A1 (0.30)
SCHEMBL4931185 0.82 ALDH1A1 (0.31) S1PR1
SCHEMBL4937794 0.81 CHRNA1 (0.33) S1PR1
SCHEMBL2280755 0.80 S1PR1 (0.32) S1PR1
SCHEMBL21259775 0.78 CXCR2 (0.38) S1PR1
SCHEMBL26952913 0.78 CXCR2 (0.32)
SCHEMBL18862374 0.78 CXCR2 (0.32)
SCHEMBL26952925 0.78 CXCR2 (0.32)
SCHEMBL17041593 0.78 CXCR2 (0.32)
SCHEMBL2237863 0.77 S1PR1 (0.32) S1PR1

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
US-8791100-B2 Aryl benzylamine compounds NOVARTIS AG (CH) 2014-07-29 US disclosed
US-20110190258-A1 ARYL BENZYLAMINE COMPOUNDS NOVARTIS AG (CH) 2011-08-04 US disclosed
US-20110190258-A1 ARYL BENZYLAMINE COMPOUNDS NOVARTIS AG (CH) 2011-08-04 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-20110190258-A1 ARYL BENZYLAMINE COMPOUNDS UGT2B7, NAT1, CYP2B6 S1PR1 3064/4885

“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.