SCHEMBL4136706

SCHEMBL4136706

C=CCS(=O)(=O)Nc1cc[c]cc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TGM2 P21980 1/20 0.34
NR3C2 P08235 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
KIF11 P52732 1/20 0.30
MAPT P10636 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL27520780 0.83 HPGD (0.36) HPGDLMNAHTTSMN1; SMN2NR3C2
SCHEMBL321565 0.81 KEAP1 (0.47) HPGDLMNATGM2NR3C2CA12
SCHEMBL11663915 0.79 HPGD (0.40) HPGDLMNAHTTSMN1; SMN2TGM2
SCHEMBL486249 0.76 HPGD (0.59) HPGDLMNAHTTSMN1; SMN2NR3C2
SCHEMBL1679405 0.75 KIF11 (0.41) HPGDLMNAHTTSMN1; SMN2TGM2
SCHEMBL1679407 0.74 CA1 (0.46) HPGDLMNAHTTSMN1; SMN2TGM2
SCHEMBL27569081 0.74 HTT (0.41) HPGDLMNAHTTSMN1; SMN2TGM2
SCHEMBL3632087 0.74 KMT2A (0.48) HPGDLMNAHTTCA12CA1
SCHEMBL9495051 0.73 HPGD (0.44) HPGDLMNAHTTSMN1; SMN2TGM2
SCHEMBL27850944 0.73 CA2 (0.56) HPGDTGM2CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2782915-B1 [1,2,3]TRIAZOLO[4,5-d]PYRIMIDINE DERIVATIVES AS AGONISTS OF THE CANNABINOID RECEPTOR 2 AGONISTS HOFFMANN LA ROCHE (CH) 2015-09-30 EP claimed
US-20050020648-A1 Thiophenylaminoimidazolines as IP antagonists ROCHE PALO ALTO LLC 2005-01-27 US claimed
EP-0243173-A2 New diphosphonic acid compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-10-28 EP claimed
US-20090054467-A1 Pyrrolo Pyrimidines as Agents for the Inhibition of Cystein Proteases BETSCHART CLAUDIA 2009-02-26 US disclosed
US-7452886-B2 Pyrrolo pyrimidines as agents for the inhibition of cystein proteases NOVARTIS AG (CH) 2008-11-18 US disclosed
EP-1423391-B8 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES NOVARTIS AG (CH) 2007-12-12 EP disclosed
US-7078401-B2 Thiophenylaminoimidazolines as IP antagonists ROCHE PALO ALTO LLC (US) 2006-07-18 US disclosed
EP-1423391-B1 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES NOVARTIS AG (CH) 2006-05-17 EP disclosed
EP-1656350-A2 THIOPHENYLAMINOIMIDAZOLINES AS PROSTAGLANDIN I2 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-05-17 EP disclosed
US-20050054851-A1 Pyrrolo pyrimidines as agents for the inhibition of cystein proteases NOVARTIS AG (CH) 2005-03-10 US disclosed
US-20050020648-A1 Thiophenylaminoimidazolines as IP antagonists ROCHE PALO ALTO LLC 2005-01-27 US disclosed
WO-2005005394-A2 THIOPHENYLAMINOIMIDAZOLINES AS PROSTAGLANDIN I2 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2005-01-20 WO disclosed
EP-1423391-A1 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES Novartis AG (CH) 2004-06-02 EP disclosed
WO-2003020721-A1 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES NOVARTIS AG (CH) 2003-03-13 WO disclosed
EP-0358284-A2 Derivatized alkanolamines as cardiovascular agents SCHERING AKTIENGESELLSCHAFT (DE) 1990-03-14 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 (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-20050054851-A1 Pyrrolo pyrimidines as agents for the inhibition of cystein proteases CTSK, CTSS, CTSZ HPGD 334/4885LMNA 4184/4885HTT 1803/4885
US-20050020648-A1 Thiophenylaminoimidazolines as IP antagonists TBXA2R, MRGPRX2, MRGPRX1 HPGD 874/4885LMNA 4165/4885HTT 3641/4885
US-20090054467-A1 Pyrrolo Pyrimidines as Agents for the Inhibition of Cystein Proteases CTSK, CTSS, CTSZ HPGD 334/4885LMNA 4184/4885HTT 1803/4885

“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.