SCHEMBL2204086

SCHEMBL2204086

CS(=O)(=O)c1cccc(CCN)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.67
TAAR1 Q96RJ0 7/20 0.53
DRD2 P14416 1/20 0.48
DRD1 P21728 1/20 0.48
GRM2 Q14416 2/20 0.48
GRM3 Q14832 2/20 0.48
KIF11 P52732 1/20 0.47
LOX P28300 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.45
NOS1 P29475 1/20 0.45
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44

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
Hydrochloric Acid SCHEMBL15741790 0.98 HTR6 (0.65) HTR6TAAR1DRD2DRD1GRM2
SCHEMBL1127911 0.85 HTR6 (0.51) HTR6DRD2GRM2GRM3KIF11
Hydrochloric Acid SCHEMBL723559 0.83 LOXL2 (0.50) HTR6DRD2GRM2GRM3KIF11
Hydrochloric Acid SCHEMBL30468481 0.83 LOXL2 (0.50) HTR6DRD2GRM2GRM3KIF11
SCHEMBL3735049 0.83 HTR6 (0.69) HTR6TAAR1DRD2DRD1CA12
SCHEMBL10180595 0.83 KAT6A (0.48) HTR6DRD2GRM2GRM3ALDH1A1
SCHEMBL30839505 0.83 HTR6 (0.69) HTR6TAAR1DRD2DRD1CA12
SCHEMBL5264775 0.83 HTR6 (0.54) HTR6DRD2GRM2GRM3KIF11
SCHEMBL5232319 0.81 DRD2 (0.46) HTR6DRD2GRM2GRM3LOX
SCHEMBL32665196 0.81 HTR6 (0.67) HTR6TAAR1DRD2DRD1LOXL2

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10632125-B2 MTH1 inhibitors for treatment of inflammatory and autoimmune conditions THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2020-04-28 US disclosed
US-10179790-B2 MTH1 inhibitors for treatment of cancer THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2019-01-15 US disclosed
US-20190000856-A1 MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS THOMAS HELLEDAYS STIFTELSE FOER MEDICINSK FORSKNING (SE) 2019-01-03 US disclosed
US-10064869-B2 MTH1 inhibitors for treatment of inflammatory and autoimmune conditions THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2018-09-04 US disclosed
US-20170197976-A1 MTH1 INHIBITORS FOR TREATMENT OF CANCER THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2017-07-13 US disclosed
US-20170196873-A1 MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2017-07-13 US disclosed
EP-3151833-A1 MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS Thomas Helledays Stiftelse För Medicinsk Forskning (SE) 2017-04-12 EP disclosed
EP-3152195-A1 MTH1 INHIBITORS FOR TREATMENT OF CANCER Thomas Helledays Stiftelse För Medicinsk Forskning (SE) 2017-04-12 EP disclosed
US-20160031812-A1 SEPIAPTERIN REDUCTASE INHIBITORS FOR THE TREATMENT OF PAIN SOLACE PHARMACEUTICALS UK LTD. (GB) 2016-02-04 US disclosed
WO-2015187088-A1 MTH1 INHIBITORS FOR TREATMENT OF CANCER THOMAS HELLEDAYS STIFTELSE FÖR MEDICINSK FORSKNING (SE) 2015-12-10 WO disclosed
US-20120322800-A1 Sepiapterin Reductase Inhibitors For The Treatment of Pain SOLACE PHARMACEUTICALS UK LTD. (GB) 2012-12-20 US disclosed
US-7981914-B2 Tetrazole-substituted aryl amide derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2011-07-19 US disclosed
WO-2011047156-A1 SEPIAPTERIN REDUCTASE INHIBITORS FOR THE TREATMENT OF PAIN HERCULES TECHNOLOGY MANAGEMENT CO V, INC. (US) 2011-04-21 WO disclosed
CN-101821246-A Tetrazole-substituted arylamide derivatives and uses thereof HOFFMANN LA ROCHE 2010-09-01 CN disclosed
EP-2205573-A1 TETRAZOLE-SUBSTITUTED ARYL AMIDE DERIVATIVES AND USES THEREOF F. Hoffmann-Roche AG (CH) 2010-07-14 EP disclosed
CN-101610761-A 1-amino methyl-L-phenyl-cyclohexane-derivant as the DDP-IV inhibitor NOVARTIS AG (CH) 2009-12-23 CN disclosed
EP-2124913-A1 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS Novartis AG (CH) 2009-12-02 EP disclosed
US-20090093523-A1 Tetrazole-substituted aryl amide derivatives and uses thereof ROCHE PALO ALTO LLC 2009-04-09 US disclosed
WO-2009043780-A1 TETRAZOLE-SUBSTITUTED ARYL AMIDE DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2009-04-09 WO disclosed
WO-2008077597-A1 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS NOVARTIS AG (CH) 2008-07-03 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 (9 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-20160031812-A1 SEPIAPTERIN REDUCTASE INHIBITORS FOR THE TREATMENT OF PAIN SPR, QDPR, SRR HTR6 1805/4885TAAR1 1267/4885DRD2 1946/4885
US-20120322800-A1 Sepiapterin Reductase Inhibitors For The Treatment of Pain SPR, QDPR, SRR HTR6 1805/4885TAAR1 1267/4885DRD2 1946/4885
US-10179790-B2 MTH1 inhibitors for treatment of cancer MTHFD1, MTHFD2, DPYD HTR6 4616/4885TAAR1 3108/4885DRD2 4845/4885
US-20190000856-A1 MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS MTHFD1, MTHFD2, TPMT HTR6 4802/4885TAAR1 2150/4885DRD2 4872/4885
US-20170197976-A1 MTH1 INHIBITORS FOR TREATMENT OF CANCER MTHFD1, MTHFD2, DPYD HTR6 4616/4885TAAR1 3108/4885DRD2 4845/4885
US-10632125-B2 MTH1 inhibitors for treatment of inflammatory and autoimmune conditions MTHFD1, MTHFD2, TPMT HTR6 4802/4885TAAR1 2150/4885DRD2 4872/4885
US-20090093523-A1 Tetrazole-substituted aryl amide derivatives and uses thereof AR, NAT1, TBXA2R HTR6 1396/4885TAAR1 304/4885DRD2 2439/4885
US-20170196873-A1 MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS MTHFD1, MTHFD2, TPMT HTR6 4802/4885TAAR1 2150/4885DRD2 4872/4885
US-10064869-B2 MTH1 inhibitors for treatment of inflammatory and autoimmune conditions MTHFD1, MTHFD2, TPMT HTR6 4802/4885TAAR1 2150/4885DRD2 4872/4885

“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.