SCHEMBL10113339

SCHEMBL10113339

O=S(=O)(NC1CCCCC1)c1ccc(OC2CCN(c3ccc(C(F)(F)F)cc3)CC2)nc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
MAPT P10636 3/20 0.46
UCHL1 P09936 2/20 0.45
USP30 Q70CQ3 2/20 0.45
TP53 P04637 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 1/20 0.44
GPR119 Q8TDV5 2/20 0.43
LMNA P02545 2/20 0.42
LIPG Q9Y5X9 1/20 0.42
SCN3A Q9NY46 1/20 0.40
EPHX2 P34913 1/20 0.39
KDM4E B2RXH2 1/20 0.39
RECQL P46063 1/20 0.39
DEGS1 O15121 1/20 0.39
LIPE Q05469 2/20 0.38

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
SCHEMBL4454172 0.91 USP30 (0.45) UCHL1USP30GPR119LIPGSCN3A
SCHEMBL648582 0.91 UCHL1 (0.43) MAPTUCHL1USP30GPR119LIPG
SCHEMBL3665469 0.88 LIPG (0.45) UCHL1USP30TP53SMN1; SMN2GAA
SCHEMBL648845 0.88 LIPE (0.45) ALDH1A1UCHL1USP30SMN1; SMN2GPR119
SCHEMBL4403535 0.87 ALDH1A1 (0.53) ALDH1A1MAPTUCHL1USP30TP53
SCHEMBL650729 0.85 LIPE (0.43) ALDH1A1UCHL1USP30SMN1; SMN2LIPE
SCHEMBL12225951 0.85 PRKAA2 (0.46) UCHL1USP30LIPE
SCHEMBL649734 0.85 GPR119 (0.58) GPR119
SCHEMBL649826 0.84 PRKAA2 (0.52) MAPTTP53SMN1; SMN2GAALIPE
SCHEMBL4401672 0.84 LIPE (0.44) UCHL1USP30GPR119LIPE

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-8119809-B2 AMPK-activating heterocycloalkyloxy(hetero)aryl carboxamide, sulfonamide and amine compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2012-02-21 US disclosed
US-8119809-B2 AMPK-activating heterocycloalkyloxy(hetero)aryl carboxamide, sulfonamide and amine compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2012-02-21 US disclosed
US-20090170829-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2009-07-02 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-20090170829-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 ALDH1A1 1116/4885MAPT 2146/4885UCHL1 2411/4885

“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.