SCHEMBL3529630

SCHEMBL3529630

c1csc(CCc2nnn[nH]2)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.44
TSHR P16473 2/20 0.41
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
ADRA2A P08913 2/20 0.38
ADRA2B P18089 2/20 0.38
ADRA2C P18825 2/20 0.38
LMNA P02545 1/20 0.36
ADRA1D P25100 2/20 0.36
HRH3 Q9Y5N1 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
HCAR3 P49019 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL4168658 0.84 TSHR (0.47) TAAR1TSHRLMNAADRA1DTDP1
SCHEMBL2030841 0.74 TAAR1 (0.71) TAAR1TSHRPTGS1PTGS2ADRA2A
SCHEMBL4671779 0.74
SCHEMBL9472736 0.72 CYP2C19 (0.40) TAAR1TSHRADRA2AADRA2BADRA2C
SCHEMBL4715479 0.71 DAO (0.47) TAAR1LMNATDP1SMN1; SMN2NPC1
SCHEMBL11736566 0.70 FBP1 (0.38) LMNASMN1; SMN2NPC1RAB9A
SCHEMBL5757569 0.70 HPGD (0.37) TAAR1TSHRADRA1DTDP1SMN1; SMN2
SCHEMBL4775873 0.69 TAAR1 (0.44) TAAR1TSHRLMNAADRA1D
SCHEMBL11185497 0.69 FDPS (0.33)
SCHEMBL1449511 0.68 ALDH1A1 (0.50) TSHRLMNASMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2922832-B1 GLUTAMINASE INHIBITORS AND METHODS OF USE AGIOS PHARMACEUTICALS INC (US) 2019-10-09 EP disclosed
US-10414740-B2 Glutaminase inhibitors and method of use AGIOS PHARMACEUTICALS, INC. (US) 2019-09-17 US disclosed
US-20180370930-A1 GLUTAMINASE INHIBITORS AND METHOD OF USE SERVIER PHARMACEUTICALS LLC 2018-12-27 US disclosed
US-10011574-B2 Glutaminase inhibitors and method of use AGIOS PHARMACEUTICALS, INC. (US) 2018-07-03 US disclosed
US-9303002-B2 Compounds and their methods of use AGIOS PHARMACEUTICALS, INC. (US) 2016-04-05 US disclosed
US-20150299152-A1 GLUTAMASE INHIBITORS AND METHOD OF USE SERVIER PHARMACEUTICALS LLC 2015-10-22 US disclosed
EP-2922832-A1 GLUTAMASE INHIBITORS AND METHOD OF USE Agios Pharmaceuticals, Inc. (US) 2015-09-30 EP disclosed
WO-2014081925-A1 GLUTAMASE INHIBITORS AND METHOD OF USE AGIOS PHARMACEUTICALS, INC. (US) 2014-05-30 WO disclosed
US-20140142146-A1 COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2014-05-22 US disclosed
US-7741354-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2010-06-22 US disclosed
US-20080207715-A1 Novel Inhibitors of Glutaminyl Cyclase PROBIODRUG AG (DE) 2008-08-28 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 (6 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-10011574-B2 Glutaminase inhibitors and method of use GLS, GLS2, GLUL TAAR1 4666/4885TSHR 4186/4885PTGS1 2322/4885
US-10414740-B2 Glutaminase inhibitors and method of use GLS, GLS2, GLUL TAAR1 4666/4885TSHR 4186/4885PTGS1 2322/4885
US-20150299152-A1 GLUTAMASE INHIBITORS AND METHOD OF USE GLS, GLS2, GLUL TAAR1 4692/4885TSHR 4337/4885PTGS1 1989/4885
US-20180370930-A1 GLUTAMINASE INHIBITORS AND METHOD OF USE GLS, GLS2, GLUL TAAR1 4666/4885TSHR 4186/4885PTGS1 2322/4885
US-20140142146-A1 COMPOUNDS AND THEIR METHODS OF USE GLS, GLS2, GLUL TAAR1 4789/4885TSHR 4360/4885PTGS1 2631/4885
US-20080207715-A1 Novel Inhibitors of Glutaminyl Cyclase GLS, GLS2, GLUL TAAR1 1227/4885TSHR 384/4885PTGS1 1371/4885

“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.