SCHEMBL3826945

SCHEMBL3826945

CCN(CC)S(=O)(=O)c1ccsc1CO

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.41
LMNA P02545 5/20 0.41
HTT P42858 5/20 0.41
KMT2A Q03164 1/20 0.40
TSHR P16473 3/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2C19 P33261 3/20 0.39
HIF1A Q16665 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PKM P14618 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
HPGD P15428 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 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
SCHEMBL3823061 0.83 SMN1; SMN2 (0.41) SMN1; SMN2LMNAHTTKMT2ATSHR
SCHEMBL1491801 0.83 SMN1; SMN2 (0.41) SMN1; SMN2LMNAHTTKMT2ATSHR
Hydrochloric Acid SCHEMBL3829456 0.82 SMN1; SMN2 (0.40) SMN1; SMN2LMNAHTTKMT2ATSHR
SCHEMBL3821615 0.77 LMNA (0.58) SMN1; SMN2LMNAKMT2ATSHRKDM4E
SCHEMBL13933310 0.76 SMN1; SMN2 (0.35) SMN1; SMN2LMNAHTTKMT2ATSHR
SCHEMBL3820065 0.75 EDNRA (0.42) SMN1; SMN2LMNAHTTKMT2ATSHR
SCHEMBL3822222 0.73 TSHR (0.53) SMN1; SMN2LMNAKMT2ATSHRCYP1A2
SCHEMBL4362446 0.73 CA2 (0.39) LMNA
SCHEMBL10464477 0.70 ALDH1A1 (0.39) SMN1; SMN2LMNAKMT2AKDM4EALDH1A1
SCHEMBL13089331 0.69 SMN1; SMN2 (0.43) SMN1; SMN2LMNAHTTKMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2096111-A1 PYRAZOLES AND USE THEREOF AS DRUGS Japan Tobacco Inc. (JP) 2009-09-02 EP disclosed
US-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF JAPAN TOBACCO, INC. (JP) 2009-02-05 US disclosed
US-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF JAPAN TOBACCO, INC. (JP) 2009-02-05 US disclosed
US-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF JAPAN TOBACCO, INC. (JP) 2009-02-05 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 (1 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-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF PYGL, GYS2, G6PC1 SMN1; SMN2 4002/4885LMNA 2209/4885HTT 4408/4885

“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.