SCHEMBL2818630

SCHEMBL2818630

CCOC(=O)c1cnn(Cc2ccc(SC)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.44
▸ LMNA P02545 4/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ KLKB1 P03952 5/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ ATM Q13315 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ KLK1 P06870 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ ESR1 P03372 1/20 0.40

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
SCHEMBL1909166 0.88 GRM2 (0.53) GRM2ALDH1A1LMNAMEN1KMT2A
SCHEMBL2821953 0.87 LMNA (0.54) GRM2ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL28595790 0.87 ESR1 (0.55) GRM2ALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL3092869 0.86 HSD17B10 (0.51) GRM2ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL553801 0.86 GRM2 (0.53) GRM2ALDH1A1LMNAKLKB1KDM4E
SCHEMBL554548 0.86 GRM2 (0.51) GRM2ALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL16246754 0.86 KLKB1 (0.57) GRM2ALDH1A1LMNAKLKB1HSD17B10
SCHEMBL30739239 0.85 GRM2 (0.50) GRM2ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL3093449 0.85 GRM2 (0.63) GRM2ALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL30739426 0.85 GRM2 (0.50) GRM2ALDH1A1LMNAKLKB1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100184815-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-ALPHA MPM ASSET MANAGEMENT INVESTORS 2002 BVIII LLC 2010-07-22 — — 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-20100184815-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-ALPHA PPARA, PPARD, PPARG GRM2 849/4885ALDH1A1 461/4885LMNA 1512/4885

“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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