SCHEMBL2664673

SCHEMBL2664673

O=C(Nc1nccs1)C(CC1CCCC1)c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GCK P35557 8/20 0.74
FFAR2 O15552 2/20 0.72
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C9 P11712 1/20 0.64
CYP2C19 P33261 1/20 0.64
KCNH2 Q12809 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.58
ALDH1A1 P00352 1/20 0.57
EPHX2 P34913 1/20 0.55
LMNA P02545 1/20 0.55
TSHR P16473 1/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
ACP1 P24666 1/20 0.54
POLB P06746 1/20 0.52

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
SCHEMBL2647924 0.93 GCK (0.71) GCKFFAR2CYP1A2CYP3A4CYP2D6
SCHEMBL2647740 0.93 GCK (0.71) GCKFFAR2CYP1A2CYP3A4CYP2D6
SCHEMBL2654951 0.91 GCK (0.74) GCKFFAR2CYP1A2CYP3A4CYP2D6
SCHEMBL2649058 0.91 GCK (0.68) GCKFFAR2CYP1A2CYP3A4CYP2D6
SCHEMBL2647388 0.90 GCK (0.79) GCKFFAR2CYP1A2CYP3A4CYP2D6
SCHEMBL2644739 0.90 GCK (0.76) GCKFFAR2CYP1A2CYP3A4CYP2D6
SCHEMBL2654390 0.89 GCK (0.66) GCKFFAR2CYP1A2CYP3A4CYP2D6
SCHEMBL2652156 0.89 GCK (0.66) GCKFFAR2CYP1A2CYP3A4CYP2D6
SCHEMBL2646757 0.89 FFAR2 (0.91) GCKFFAR2CYP1A2CYP3A4CYP2D6
SCHEMBL2645293 0.89 GCK (0.74) GCKFFAR2CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399681-B2 Substituted aminothiazolone indazoles as estrogen related receptor-alpha modulators JANSSEN PHARMACEUTICA NV (BE) 2013-03-19 US disclosed
US-8344009-B2 Substituted phenoxy thiazolidinediones as estrogen related receptor-á modulators JANSSEN PHARMACEUTICA, NV (BE) 2013-01-01 US disclosed
US-20070117808-A1 Substituted Cycloalkylpyrrolones As Allosteric Modulators Of Glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-24 US disclosed
WO-2001083465-A2 ALKYNYL PHENYL HETEROAROMATIC GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2001-11-08 WO 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-20070117808-A1 Substituted Cycloalkylpyrrolones As Allosteric Modulators Of Glucokinase GCKR, GCK, GALK1 GCK 2/4885FFAR2 635/4885CYP1A2 1718/4885

“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.