SCHEMBL2298066

SCHEMBL2298066

CCOC(=O)N1CCO[C@@H](c2ccc(OS(=O)(=O)c3ccccc3)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 1/20 0.41
APP P05067 3/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
HCRTR1 O43613 1/20 0.39
CYP2C19 P33261 2/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 3/20 0.39
PKM P14618 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
USP30 Q70CQ3 1/20 0.39
GRIN2B Q13224 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
SCHEMBL2299645 1.00 F2 (0.41) F2SMN1; SMN2LMNAAPPCHRM2
SCHEMBL2296164 0.92 KMT2A (0.44) SMN1; SMN2LMNACYP2C19GAATSHR
SCHEMBL2295739 0.92 KMT2A (0.44) SMN1; SMN2LMNACYP2C19GAATSHR
SCHEMBL2298271 0.90 ENPP3 (0.42) SMN1; SMN2ALDH1A1MEN1KMT2AUSP30
SCHEMBL2297829 0.90 ENPP3 (0.42) SMN1; SMN2ALDH1A1MEN1KMT2AUSP30
SCHEMBL2298229 0.88 KMT2A (0.45) SMN1; SMN2GAAMEN1KMT2AUSP30
SCHEMBL2294527 0.88 KMT2A (0.45) SMN1; SMN2GAAMEN1KMT2AUSP30
SCHEMBL3371675 0.87 ENPP3 (0.42) SMN1; SMN2LMNAGAAALDH1A1MEN1
SCHEMBL3374999 0.87 ENPP3 (0.42) SMN1; SMN2LMNAGAAALDH1A1MEN1
SCHEMBL2297489 0.86 PKM (0.40) SMN1; SMN2LMNAGAATSHRALDH1A1

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 F2 3880/4885SMN1; SMN2 849/4885LMNA 3268/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 F2 3880/4885SMN1; SMN2 849/4885LMNA 3268/4885

“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.