SCHEMBL2222084

SCHEMBL2222084

CCOC(=O)C(=O)C(SC)C(=O)c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 4/20 0.43
TDP1 Q9NUW8 2/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 2/20 0.41
ABCB11 O95342 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
HTR2A P28223 1/20 0.41
PMP22 Q01453 1/20 0.41
PPARA Q07869 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
SIRT3 Q9NTG7 1/20 0.40
CYP19A1 P11511 1/20 0.40
MAPT P10636 4/20 0.40
KYAT1 Q16773 1/20 0.39
OPRK1 P41145 1/20 0.39
EPHX2 P34913 1/20 0.38
TRPA1 O75762 1/20 0.38

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
SCHEMBL277081 0.81 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1TDP1GAATSHR
SCHEMBL25179993 0.81 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1TDP1GAATSHR
SCHEMBL14338895 0.80 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1TDP1GAATSHR
SCHEMBL2848362 0.79 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1TDP1GAATSHR
SCHEMBL4800700 0.79 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1TDP1GAATSHR
SCHEMBL1525403 0.73 CES2 (0.57) SMN1; SMN2ALDH1A1TDP1GAATSHR
SCHEMBL8377360 0.73 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1TDP1GAATSHR
SCHEMBL1965917 0.72 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1TDP1GAATSHR
SCHEMBL9019162 0.71 L3MBTL1 (0.48) SMN1; SMN2ALDH1A1TDP1GAATSHR
SCHEMBL276647 0.71 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1TDP1GAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309584-B2 Sulfur containing pyrazole-heterocycle derivatives as cannabinoid CB1 receptor antagonists GREEN CROSS CORPORATION (KR) 2012-11-13 US disclosed
US-20110178140-A1 SULFUR CONTAINING PYRAZOLE-HETEROCYCLE DERIVATIVES AS CANNABINOID CB1 RECEPTOR ANTAGONISTS GREEN CROSS CORPORATION (KR) 2011-07-21 US disclosed
WO-2010035915-A1 SULFUR CONTAINING PYRAZOLE-HETEROCYCLE DERIVATIVES AS CANNABINOID CB1 RECEPTOR ANTAGONISTS GREEN CROSS CORPORATION (KR) 2010-04-01 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 (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-20110178140-A1 SULFUR CONTAINING PYRAZOLE-HETEROCYCLE DERIVATIVES AS CANNABINOID CB1 RECEPTOR ANTAGONISTS CNR1, CNR2, GPR119 SMN1; SMN2 3842/4885ALDH1A1 2950/4885TDP1 4849/4885

“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.