SCHEMBL5447807

SCHEMBL5447807

NC[C@@H](O)CNS(=O)(=O)c1ccc(F)cc1Cl

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.59
CCR1 P32246 1/20 0.42
PER2 O15055 3/20 0.41
CRY1 Q16526 3/20 0.41
CRY2 Q49AN0 3/20 0.41
TRPV4 Q9HBA0 2/20 0.41
BRD4 O60885 2/20 0.40
ATM Q13315 1/20 0.39
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38
PFKFB3 Q16875 1/20 0.38
TDO2 P48775 1/20 0.37

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
SCHEMBL5447814 1.00 GBA1 (0.59) GBA1CCR1PER2CRY1CRY2
SCHEMBL4136570 0.87 TRPV4 (0.49) GBA1CCR1TRPV4TDO2
SCHEMBL5433686 0.86 GBA1 (0.55) GBA1CCR1TRPV4ATM
SCHEMBL14360908 0.86 GBA1 (0.55) GBA1CCR1TRPV4ATM
SCHEMBL5436530 0.78 BRD4 (0.48) GBA1CCR1PER2CRY1CRY2
SCHEMBL5436535 0.78 BRD4 (0.48) GBA1CCR1PER2CRY1CRY2
SCHEMBL14360846 0.76 CCR1 (0.52) CCR1TRPV4ALDH1A1PKMTDO2
SCHEMBL4140210 0.75 BMP1 (0.45) GBA1CCR1PER2CRY1CRY2
SCHEMBL4140203 0.75 ADAM17 (0.42) GBA1CCR1PER2CRY1CRY2
SCHEMBL13872427 0.75 HTT (0.45) CCR1PER2CRY1CRY2TRPV4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070259965-A1 Acyclic 1,3-Diamine And Uses Therefor SMITHKLINE BEECHAM CORPORATION 2007-11-08 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-20070259965-A1 Acyclic 1,3-Diamine And Uses Therefor TRPV4, TRPC4, TRPV1 GBA1 1769/4885CCR1 511/4885PER2 2924/4885

“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.