SCHEMBL12635490

SCHEMBL12635490

CCOC(=O)CN1CCSC1=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 3/20 0.45
▸ GSK3A P49840 2/20 0.45
▸ POLB P06746 1/20 0.43
▸ ELANE P08246 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ PIN1 Q13526 1/20 0.41
▸ PIN4 Q9Y237 1/20 0.41
▸ PRKCA P17252 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ LMNA P02545 4/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ INMT O95050 1/20 0.40
▸ PPARG P37231 1/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL25523013 0.75 PDE4B (0.42) POLBALDH1A1LMNAKMT2AMEN1
SCHEMBL13693768 0.75 INMT (0.41) POLBLMNASMN1; SMN2INMT
SCHEMBL27618862 0.74 ALDH1A1 (0.39) POLBALDH1A1LMNASMN1; SMN2INMT
SCHEMBL9708708 0.74 GSK3A (0.49) GSK3BGSK3AELANENPSR1ALDH1A1
SCHEMBL2828076 0.72 GAA (0.49) GSK3BGSK3APOLBELANEALDH1A1
SCHEMBL5903651 0.72 GSK3B (0.38) GSK3BGSK3APOLBELANENPSR1
SCHEMBL668453 0.71 TSHR (0.56) GSK3BGSK3AELANEALDH1A1PIN1
SCHEMBL16424936 0.71 TSHR (0.49) GSK3BGSK3APOLBELANEALDH1A1
SCHEMBL6528311 0.70 TSHR (0.50) GSK3BGSK3AELANEALDH1A1PIN1
SCHEMBL2824281 0.70 MAPK1 (0.46) GSK3BGSK3APOLBELANEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105488-A1 SUBSTITUTED PYRROLIDINE AND PIPERIDINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS FOR TREATING PAIN CHLORION PHARMA, INC. (CA) 2011-05-05 — — US disclosed
US-20110105488-A1 SUBSTITUTED PYRROLIDINE AND PIPERIDINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS FOR TREATING PAIN CHLORION PHARMA, INC. (CA) 2011-05-05 — — 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-20110105488-A1 SUBSTITUTED PYRROLIDINE AND PIPERIDINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS FOR TREATING PAIN PAM, PNN, NOD1 GSK3B 3408/4885GSK3A 3621/4885POLB 1933/4885

“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.

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