SCHEMBL4070177

SCHEMBL4070177

CC(C)c1ccc(S(=O)(=O)CC#N)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
MAPT P10636 4/20 0.46
LMNA P02545 3/20 0.46
KDM4E B2RXH2 2/20 0.46
GAA P10253 2/20 0.46
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
TP53 P04637 1/20 0.41
UCHL1 P09936 1/20 0.40
USP30 Q70CQ3 1/20 0.40
MCOLN3 Q8TDD5 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
PKM P14618 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL3247012 0.80 ALDH1A1 (0.50) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL5745307 0.79 GAA (0.55) ALDH1A1LMNAGAACA12CA1
SCHEMBL4074745 0.79 ENPP2 (0.45) TP53SMN1; SMN2
SCHEMBL1169954 0.79 ALDH1A1 (0.55) ALDH1A1MAPTLMNAGAACA12
SCHEMBL10180779 0.78 GAA (0.59) ALDH1A1MAPTLMNAKDM4EGAA
SCHEMBL17376401 0.77 MMP3 (0.50) ALDH1A1CA12CA1CA2CA9
SCHEMBL7118736 0.76 CA2 (0.52) ALDH1A1MAPTGAACA12CA1
SCHEMBL4079205 0.75 F2 (0.41) MAPTCA12CA1CA2CA9
SCHEMBL2320786 0.75 PSEN1 (0.46) ALDH1A1CA1CA2TP53PKM
SCHEMBL22057007 0.75 MAPT (0.53) ALDH1A1MAPTCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220024928-A1 3-(PHENYLSULFONYL)-[1,2,3]TRIAZOLO[1,5A]QUINAZOLIN-5(4H)-ONE DERIVATIVES BioVersys AG (CH) 2022-01-27 US disclosed
US-9303042-B2 Triazolothienopyrimidine compound inhibitors of urea transporters and methods of using inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-04-05 US disclosed
WO-2013148813-A1 TRIAZOLOTHIENOPYRIMIDINE COMPOUND INHIBITORS OF UREA TRANSPORTERS AND METHODS OF USING INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-10-03 WO disclosed
EP-1625112-B1 NOVEL COMPOUNDS FOR TREATMENT OF OBESITY HIGH POINT PHARMACEUTICALS LLC (US) 2009-07-22 EP disclosed
US-20060128662-A1 Novel compounds for treatment of obesity NOVO NORDISK A/S (DK) 2006-06-15 US disclosed
EP-1625112-A1 NOVEL COMPOUNDS FOR TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2006-02-15 EP disclosed
WO-2004101505-A1 NOVEL COMPOUNDS FOR TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2004-11-25 WO disclosed
CN-1118468-C Pyrazolopyrimidines and pyrazolotriazines HOFFMANN LA ROCHE (CH) 2003-08-20 CN disclosed
EP-0941994-B1 Pyrazolopyrimidines and pyrazolotriazines with 5-HT6 receptor affinity HOFFMANN LA ROCHE (CH) 2003-05-14 EP disclosed
US-6194410-B1 ANTISEROTONINE AGENTS; NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS HOFFMAN-LA ROCHE INC. 2001-02-27 US disclosed
CN-1236780-A Pyrazolopyrimidines and pyrazolotriazines HOFFMANN LA ROCHE (CH) 1999-12-01 CN disclosed
EP-0941994-A1 Pyrazolopyrimidines and pyrazolotriazines with 5-HT6 receptor affinity F. HOFFMANN-LA ROCHE AG (CH) 1999-09-15 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-20220024928-A1 3-(PHENYLSULFONYL)-[1,2,3]TRIAZOLO[1,5A]QUINAZOLIN-5(4H)-ONE DERIVATIVES OR10J3, ORC3, CBR3 ALDH1A1 1547/4885MAPT 4658/4885LMNA 3949/4885
US-20060128662-A1 Novel compounds for treatment of obesity GPR119, FABP4, HSD17B4 ALDH1A1 66/4885MAPT 4680/4885LMNA 3584/4885

“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.