SCHEMBL17896563

SCHEMBL17896563

CC(C)(C)c1cc(F)cc(OCC(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.58
CD69 Q07108 2/20 0.53
ELANE P08246 1/20 0.53
CYP2C19 P33261 1/20 0.47
FFAR1 O14842 2/20 0.46
LDHA P00338 1/20 0.46
EPHX2 P34913 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
HPGD P15428 1/20 0.42
PTPRB P23467 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALOX15 P16050 1/20 0.42
LMNA P02545 1/20 0.41
MCL1 Q07820 2/20 0.41
SCN9A Q15858 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
PKM P14618 1/20 0.40
PTPN7 P35236 1/20 0.39

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
SCHEMBL9503312 0.88 SMN1; SMN2 (0.68) SMN1; SMN2CD69ELANECYP2C19FFAR1
SCHEMBL17896578 0.84 SMN1; SMN2 (0.58) SMN1; SMN2CD69ELANECYP2C19FFAR1
SCHEMBL4739457 0.82 LDHA (0.55) SMN1; SMN2CD69FFAR1LDHAHPGD
SCHEMBL16133043 0.82 SMN1; SMN2 (0.60) SMN1; SMN2CD69ELANECYP2C19FFAR1
SCHEMBL16234209 0.78 SMN1; SMN2 (0.55) SMN1; SMN2CD69ELANECYP2C19FFAR1
SCHEMBL879177 0.78 HPGD (0.51) SMN1; SMN2FFAR1LDHAHPGDPTPRB
SCHEMBL12886692 0.78 FGFR1 (0.39) CYP2C19EPHX2NR1H4LMNASCN9A
SCHEMBL5325453 0.77 CD69 (0.64) SMN1; SMN2CD69ELANECYP2C19FFAR1
SCHEMBL3826501 0.77 SMN1; SMN2 (0.53) SMN1; SMN2CD69ELANECYP2C19FFAR1
SCHEMBL24116187 0.76 SMN1; SMN2 (0.56) SMN1; SMN2CD69ELANECYP2C19EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20160250219-A1 SUBSTITUTED MORPHOLINES AS MODULATORS FOR THE CALCIUM SENSING RECEPTOR CASR, RYR1, RYR2 SMN1; SMN2 661/4885CD69 4875/4885ELANE 4731/4885

“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.