SCHEMBL12495490

SCHEMBL12495490

Cc1ccc(S(=O)(=O)OCC2COCC(=O)N2Cc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
P2RX7 Q99572 3/20 0.40
ELANE P08246 1/20 0.39
VDR P11473 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
POLB P06746 1/20 0.37
CASP3 P42574 1/20 0.37
CASP7 P55210 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
SCHEMBL8534565 0.84 KMT2A (0.45) MEN1KMT2AELANEALDH1A1HCRTR1
SCHEMBL23396000 0.79 CYP2D6 (0.41) VDRALDH1A1
SCHEMBL17824258 0.79 CYP2D6 (0.41) VDRALDH1A1
SCHEMBL17824085 0.79 CYP2D6 (0.41) VDRALDH1A1
SCHEMBL12018716 0.78 P2RX7 (0.44) MEN1KMT2AP2RX7HCRTR1HCRTR2
SCHEMBL20637914 0.78 P2RX7 (0.44) MEN1KMT2AP2RX7HCRTR1HCRTR2
SCHEMBL6133023 0.78 P2RX7 (0.45) MEN1KMT2AP2RX7ELANEALDH1A1
SCHEMBL6133226 0.78 P2RX7 (0.45) MEN1KMT2AP2RX7ELANEALDH1A1
SCHEMBL10215486 0.75 P2RX7 (0.47) MEN1KMT2AP2RX7ALDH1A1HCRTR1
SCHEMBL12018713 0.75 P2RX7 (0.46) MEN1KMT2AP2RX7ELANEALDH1A1

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-2683697-B1 SUBSTITUTED MORPHOLINES AS MODULATORS FOR THE CALCIUM SENSING RECEPTOR LUPIN ATLANTIS HOLDINGS SA (CH) 2017-09-06 EP disclosed
US-20160250219-A1 SUBSTITUTED MORPHOLINES AS MODULATORS FOR THE CALCIUM SENSING RECEPTOR LUPIN ATLANTIS HOLDINGS SA (CH) 2016-09-01 US disclosed
US-9382216-B2 Substituted morpholines as modulators for the calcium sensing receptor LUPIN LIMITED (IN) 2016-07-05 US disclosed
EP-2683697-A1 SUBSTITUTED MORPHOLINES AS MODULATORS FOR THE CALCIUM SENSING RECEPTOR Lupin Limited (IN) 2014-01-15 EP disclosed
US-20130345213-A1 SUBSTITUTED MORPHOLINES AS MODULATORS FOR THE CALCIUM SENSING RECEPTOR LUPIN LIMITED (IN) 2013-12-26 US disclosed
WO-2012120476-A1 SUBSTITUTED MORPHOLINES AS MODULATORS FOR THE CALCIUM SENSING RECEPTOR LUPIN LIMITED (IN) 2012-09-13 WO 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-20130345213-A1 SUBSTITUTED MORPHOLINES AS MODULATORS FOR THE CALCIUM SENSING RECEPTOR CASR, RYR1, RYR2 MEN1 344/4885KMT2A 3755/4885P2RX7 207/4885
US-20160250219-A1 SUBSTITUTED MORPHOLINES AS MODULATORS FOR THE CALCIUM SENSING RECEPTOR CASR, RYR1, RYR2 MEN1 344/4885KMT2A 3755/4885P2RX7 207/4885

“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.