SCHEMBL2672425

SCHEMBL2672425

C[C@@H](OCC1CO1)c1ccccc1C=CCC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PAM P19021 1/20 0.39
MGLL Q99685 3/20 0.39
TDP1 Q9NUW8 1/20 0.38
PDE5A O76074 1/20 0.37
CYSLTR2 Q9NS75 2/20 0.35
CYSLTR1 Q9Y271 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMPD2 O60906 1/20 0.34

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
SCHEMBL2672423 1.00 PAM (0.39) PAMMGLLTDP1PDE5ACYSLTR2
SCHEMBL2672426 1.00 PAM (0.39) PAMMGLLTDP1PDE5ACYSLTR2
SCHEMBL2673178 0.88 CYSLTR2 (0.43) MGLLTDP1CYSLTR2CYSLTR1
SCHEMBL2673179 0.88 CYSLTR2 (0.43) MGLLTDP1CYSLTR2CYSLTR1
SCHEMBL2474129 0.88 CYP2C19 (0.42) MGLLTDP1
SCHEMBL2673173 0.88 CYSLTR2 (0.43) MGLLTDP1CYSLTR2CYSLTR1
SCHEMBL2672634 0.85 MGLL (0.43) MGLLTDP1
SCHEMBL2672639 0.85 MGLL (0.43) MGLLTDP1
SCHEMBL2672628 0.85 MGLL (0.43) MGLLTDP1
SCHEMBL2474133 0.83 MGLL (0.39) MGLLTDP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2374794-B1 CYCLIC AMINE COMPOUNDS DAIICHI SANKYO CO LTD (JP) 2015-11-04 EP disclosed
EP-2374788-B1 INDANYL COMPOUNDS DAIICHI SANKYO CO LTD (JP) 2013-04-03 EP disclosed
US-8183272-B2 Indanyl compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-22 US disclosed
US-8173631-B2 Cyclic amine compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-08 US disclosed
US-20110319468-A1 CYCLIC AMINE COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-29 US disclosed
US-20110319359-A1 INDANYL COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-29 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-20110319468-A1 CYCLIC AMINE COMPOUNDS RYR2, CASR, RYR1 PAM 590/4885MGLL 2051/4885TDP1 3917/4885
US-20110319359-A1 INDANYL COMPOUNDS RYR2, ORAI1, CASR PAM 3035/4885MGLL 2501/4885TDP1 4784/4885

“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.