SCHEMBL2297489

SCHEMBL2297489

CCOC(=O)N1CCO[C@@H](c2ccc(OS(C)(=O)=O)cc2)C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 1/20 0.39
PDE4B Q07343 1/20 0.39
GRIN2B Q13224 4/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 2/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
TP53 P04637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
STS P08842 1/20 0.37
HPGD P15428 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
SCHEMBL2295420 1.00 PKM (0.40) PKMSMN1; SMN2TSHRPDE4BGRIN2B
SCHEMBL2298283 0.88 MEN1 (0.38) SMN1; SMN2PDE4B
SCHEMBL2298243 0.88 MEN1 (0.38) SMN1; SMN2PDE4B
SCHEMBL2298066 0.86 F2 (0.41) PKMSMN1; SMN2TSHRGRIN2BALDH1A1
SCHEMBL2295739 0.86 KMT2A (0.44) PKMSMN1; SMN2TSHRGRIN2BALDH1A1
SCHEMBL2296164 0.86 KMT2A (0.44) PKMSMN1; SMN2TSHRGRIN2BALDH1A1
SCHEMBL2299645 0.86 F2 (0.41) PKMSMN1; SMN2TSHRGRIN2BALDH1A1
SCHEMBL3372264 0.86 USP30 (0.40) PPARGPPARA
SCHEMBL3371625 0.86 USP30 (0.40) PPARGPPARA
SCHEMBL2297496 0.84 MOGAT2 (0.37) SMN1; SMN2PDE4BALDH1A1PPARGPPARA

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-20110257392-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF SANOFI-AVENTIS (FR) 2011-10-20 US disclosed
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF SANOFI-AVENTIS (FR) 2011-10-13 US disclosed
US-7994315-B2 Intermediate compound for synthesizing pharmaceutical agent and production method thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-09 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 (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-20110257392-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 PKM 74/4885SMN1; SMN2 849/4885TSHR 3633/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 PKM 74/4885SMN1; SMN2 849/4885TSHR 3633/4885

“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.