SCHEMBL3602195

SCHEMBL3602195

Cc1csc(NC(=O)c2cc(Oc3ccc(S(C)(=O)=O)cc3)cc(OC(C)C)c2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GCK P35557 19/20 1.00
MEN1 O00255 1/20 0.63
NPC1 O15118 1/20 0.63
ALDH1A1 P00352 1/20 0.63
GAA P10253 1/20 0.63
RAB9A P51151 1/20 0.63
KMT2A Q03164 1/20 0.63
KCNH2 Q12809 2/20 0.59

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
SCHEMBL3607751 0.92 GCK (0.84) GCKMEN1NPC1ALDH1A1GAA
SCHEMBL3231097 0.91 GCK (0.83) GCKKCNH2
SCHEMBL3605876 0.90 GCK (0.82) GCKMEN1NPC1ALDH1A1GAA
SCHEMBL1147239 0.89 GCK (0.80) GCKKCNH2
SCHEMBL13891536 0.89 GCK (0.80) GCKKCNH2
SCHEMBL13255097 0.89 GCK (0.80) GCKKCNH2
SCHEMBL3605901 0.89 GCK (0.80) GCKKCNH2
SCHEMBL1147241 0.88 GCK (0.79) GCKMEN1NPC1ALDH1A1GAA
SCHEMBL3596787 0.88 GCK (0.78) GCKKCNH2
SCHEMBL13282946 0.88 GCK (0.78) GCKKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060167053-A1 Heteroarylcarbamoylbenzene derivative MSD K.K. (JP) 2006-07-27 US claimed
EP-1600442-A1 HETEROARYLCARBAMOYLBENZENE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-30 EP claimed
EP-1600442-B1 HETEROARYLCARBAMOYLBENZENE DERIVATIVE MSD KK (JP) 2018-01-17 EP disclosed
EP-1600442-B1 HETEROARYLCARBAMOYLBENZENE DERIVATIVE MSD KK (JP) 2018-01-17 EP disclosed
US-7754743-B2 Heteroarylcarbamoylbenzene derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-07-13 US disclosed
US-7754743-B2 Heteroarylcarbamoylbenzene derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-07-13 US disclosed
US-7754743-B2 Heteroarylcarbamoylbenzene derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-07-13 US disclosed
US-20090018056-A1 Heteroarylcarbamoylbenzene derivatives MSD K.K. (JP) 2009-01-15 US disclosed
US-20090018056-A1 Heteroarylcarbamoylbenzene derivatives MSD K.K. (JP) 2009-01-15 US disclosed
US-20090018056-A1 Heteroarylcarbamoylbenzene derivatives MSD K.K. (JP) 2009-01-15 US disclosed
US-7432287-B2 Heteroarylcarbamoylbenzene derivative BANYU PHARMECEUTICAL CO., LTD. (JP) 2008-10-07 US disclosed
US-7432287-B2 Heteroarylcarbamoylbenzene derivative BANYU PHARMECEUTICAL CO., LTD. (JP) 2008-10-07 US disclosed
US-7432287-B2 Heteroarylcarbamoylbenzene derivative BANYU PHARMECEUTICAL CO., LTD. (JP) 2008-10-07 US disclosed
US-20060167053-A1 Heteroarylcarbamoylbenzene derivative MSD K.K. (JP) 2006-07-27 US disclosed
CN-1777589-A Heteroarylcarbamoylbenzene derivatives BANYU PHARMA CO LTD (JP) 2006-05-24 CN disclosed
EP-1600442-A1 HETEROARYLCARBAMOYLBENZENE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-30 EP 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 (2 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-20090018056-A1 Heteroarylcarbamoylbenzene derivatives GCK, GCKR, KHK GCK 1/4885MEN1 4191/4885NPC1 3691/4885
US-20060167053-A1 Heteroarylcarbamoylbenzene derivative GCK, GCKR, GALK1 GCK 1/4885MEN1 4063/4885NPC1 1678/4885

“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.