SCHEMBL4136916

SCHEMBL4136916

O=S(=O)(CCCCl)Nc1cc[c]cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.39
HPGD P15428 4/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
F10 P00742 1/20 0.35
THRA P10827 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
KIT P10721 2/20 0.33
NR3C2 P08235 1/20 0.33
ADRB3 P13945 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL6830181 0.83 AR (0.50) ARHPGDLMNAALDH1A1NR3C2
SCHEMBL2748552 0.81 HPGD (0.56) ARHPGDLMNAHTTSMN1; SMN2
SCHEMBL6752171 0.81 CA1 (0.50) ARHPGDLMNAF10GAA
SCHEMBL10191922 0.80 CA1 (0.48) ARHPGDLMNAHTTSMN1; SMN2
SCHEMBL5050119 0.80 CA1 (0.48) ARHPGDLMNAHTTSMN1; SMN2
SCHEMBL9297729 0.80 THRA (0.52) ARHPGDLMNAHTTSMN1; SMN2
SCHEMBL980565 0.80 CA1 (0.48) ARHPGDLMNAHTTSMN1; SMN2
SCHEMBL2537144 0.79 PGR (0.48) ARHPGDLMNAHTTSMN1; SMN2
SCHEMBL8982739 0.79 THRA (0.51) ARHPGDLMNAHTTSMN1; SMN2
SCHEMBL11822352 0.79 THRA (0.51) ARHPGDLMNAHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107849045-A Purine radicals N hydroxy pyrimidine carboxamides derivatives and its production and use 贵州百灵企业集团制药股份有限公司 2018-03-27 CN disclosed
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
EP-1423391-B1 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES NOVARTIS 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
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

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-20050054851-A1 Pyrrolo pyrimidines as agents for the inhibition of cystein proteases CTSK, CTSS, CTSZ AR 3382/4885HPGD 334/4885LMNA 4184/4885
US-20090054467-A1 Pyrrolo Pyrimidines as Agents for the Inhibition of Cystein Proteases CTSK, CTSS, CTSZ AR 3382/4885HPGD 334/4885LMNA 4184/4885

“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.