SCHEMBL1097458

SCHEMBL1097458

Nc1sc2ccccc2c1C1CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 6/20 0.43
GPR3 P46089 1/20 0.43
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
HPGD P15428 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LIMK1 P53667 2/20 0.37
IKBKB O14920 1/20 0.37
TDO2 P48775 2/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 2/20 0.34
NPC1 O15118 1/20 0.33
ILK Q13418 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL30908952 0.81 CYP2D6 (0.45) MAPT
SCHEMBL1157136 0.77 CYP1A2 (0.49) GPR3ALDH1A1MAPTHPGDRAB9A
SCHEMBL718642 0.73 NPY1R (0.44) GPR3ALDH1A1RAB9ALOXL2NPC1
SCHEMBL1099030 0.72 MCL1 (0.56) ALDH1A1MAPTHPGDRAB9ALIMK1
SCHEMBL3769911 0.70 GPR3 (0.55) IDO1GPR3ALDH1A1MAPTHPGD
Hydrochloric Acid SCHEMBL9404602 0.69 GPR3 (0.52) IDO1GPR3ALDH1A1MAPTHPGD
Iodide SCHEMBL30577896 0.69 GPR3 (0.52) IDO1GPR3ALDH1A1MAPTHPGD
SCHEMBL4284807 0.67 GPR3 (0.50) IDO1GPR3ALDH1A1MAPTHPGD
SCHEMBL14315167 0.67 LOXL2 (0.59) IDO1GPR3ALDH1A1MAPTHPGD
SCHEMBL1107187 0.67 IDO1 (0.51) IDO1GPR3ALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9434711-B2 Sulfonamides as TRPM8 modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2016-09-06 US disclosed
US-9434711-B2 Sulfonamides as TRPM8 modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2016-09-06 US disclosed
US-9434711-B2 Sulfonamides as TRPM8 modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2016-09-06 US disclosed
US-20140315899-A1 SULFONAMIDES AS TRPM8 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-10-23 US disclosed
US-20140315899-A1 SULFONAMIDES AS TRPM8 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-10-23 US disclosed
US-20140315899-A1 SULFONAMIDES AS TRPM8 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-10-23 US disclosed
US-8809327-B2 Sulfonamides as TRPM8 modulators JANSSEN PHARMACEUTICA, NV (BE) 2014-08-19 US disclosed
US-8809327-B2 Sulfonamides as TRPM8 modulators JANSSEN PHARMACEUTICA, NV (BE) 2014-08-19 US disclosed
EP-2762476-A1 1,2,4-TRIAZINE-6-CARBOXAMIDE DERIVATIVE Taiho Pharmaceutical Co., Ltd. (JP) 2014-08-06 EP disclosed
EP-2183239-B1 SULFONAMIDES AS TRPM8 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2012-08-22 EP disclosed
EP-2183239-B1 SULFONAMIDES AS TRPM8 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2012-08-22 EP disclosed
US-20120190674-A1 SULFONAMIDES AS TRPM8 MODULATORS BRANUM SHAWN T (US) 2012-07-26 US disclosed
US-20120190674-A1 SULFONAMIDES AS TRPM8 MODULATORS BRANUM SHAWN T (US) 2012-07-26 US disclosed
US-8153682-B2 Sulfonamides as TRPM8 modulators JANSSEN PHARMACEUTICA, NV (BE) 2012-04-10 US disclosed
US-8153682-B2 Sulfonamides as TRPM8 modulators JANSSEN PHARMACEUTICA, NV (BE) 2012-04-10 US disclosed
US-8153682-B2 Sulfonamides as TRPM8 modulators JANSSEN PHARMACEUTICA, NV (BE) 2012-04-10 US disclosed
US-20090264474-A1 SULFONAMIDES AS TRPM8 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2009-10-22 US disclosed
US-20090264474-A1 SULFONAMIDES AS TRPM8 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2009-10-22 US disclosed
US-20090264474-A1 SULFONAMIDES AS TRPM8 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2009-10-22 US disclosed
WO-2009012430-A1 SULFONAMIDES AS TRPM8 MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2009-01-22 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 (3 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-20120190674-A1 SULFONAMIDES AS TRPM8 MODULATORS TRPM8, TRPM5, TRPM2 IDO1 4477/4885GPR3 109/4885ALDH1A1 3091/4885
US-20140315899-A1 SULFONAMIDES AS TRPM8 MODULATORS TRPM8, TRPM5, TRPM2 IDO1 4477/4885GPR3 109/4885ALDH1A1 3091/4885
US-20090264474-A1 SULFONAMIDES AS TRPM8 MODULATORS TRPM8, TRPM5, TRPM2 IDO1 4477/4885GPR3 109/4885ALDH1A1 3091/4885

“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.