SCHEMBL7004840

SCHEMBL7004840

CC(=O)CSc1ccc(B(O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.53
GAA P10253 1/20 0.42
LPL P06858 3/20 0.41
LIPG Q9Y5X9 3/20 0.41
CA2 P00918 1/20 0.40
ALDH1A1 P00352 3/20 0.40
FFAR1 O14842 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ENPP2 Q13822 2/20 0.38
CTSB P07858 1/20 0.38
ELANE P08246 1/20 0.38
DUSP3 P51452 1/20 0.38
CSK P41240 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
SCHEMBL388384 0.81 SMN1; SMN2 (0.61) LPLLIPGCA2ALDH1A1FFAR1
SCHEMBL671341 0.79 PKM (0.44) PKMLPLLIPGALDH1A1FFAR1
SCHEMBL17285630 0.78 FFAR1 (0.65) PKMGAAALDH1A1FFAR1SMN1; SMN2
SCHEMBL6208171 0.78 PKM (0.58) PKMGAACA2ALDH1A1FFAR1
SCHEMBL787870 0.78 PKM (0.62) PKMALDH1A1SMN1; SMN2
SCHEMBL13476511 0.78 LMNA (0.47) ALDH1A1SMN1; SMN2
SCHEMBL941105 0.76 SMN1; SMN2 (0.66) PKMGAAALDH1A1SMN1; SMN2
SCHEMBL3430422 0.76 PKM (0.56) PKMGAAALDH1A1SMN1; SMN2
SCHEMBL3428545 0.76 PKM (0.56) PKMGAAALDH1A1FFAR1SMN1; SMN2
SCHEMBL1251803 0.76 PKM (0.56) PKMGAAALDH1A1SMN1; SMN2

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-9133140-B2 Cycloalkylamne derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-09-15 US disclosed
US-20120295943-A9 CYCLOALKYLAMINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-11-22 US disclosed
US-20120122941-A1 CYCLOALKYLAMINE DERIVATIVES MARUMOTO SHINJI (JP) 2012-05-17 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-20120295943-A9 CYCLOALKYLAMINE DERIVATIVES CASR, CALCR, CALCRL PKM 1584/4885GAA 2877/4885LPL 3791/4885
US-20120122941-A1 CYCLOALKYLAMINE DERIVATIVES CASR, CALCR, CALCRL PKM 1584/4885GAA 2877/4885LPL 3791/4885

“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.