SCHEMBL17896567

SCHEMBL17896567

CC(C)(C)c1cc(C(=O)O)c(F)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.42
GLRB P48167 1/20 0.42
KDM4E B2RXH2 2/20 0.40
ASPH Q12797 2/20 0.40
KDM8 Q8N371 1/20 0.40
EPHX2 P34913 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
KEAP1 Q14145 2/20 0.36
NFE2L2 Q16236 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
FABP4 P15090 1/20 0.35
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.35
ALB P02768 1/20 0.34
NOTUM Q6P988 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
RXRB P28702 1/20 0.34
PTGS2 P35354 2/20 0.33
RARB P10826 2/20 0.33
PTGS1 P23219 1/20 0.33

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
SCHEMBL15459959 0.92 GLRA3 (0.42) GLRA3GLRBKDM4EASPHKDM8
SCHEMBL31335754 0.85 ALOX15 (0.50) GLRA3GLRBKDM4EASPHKDM8
SCHEMBL31335768 0.85 GLRA3 (0.44) GLRA3GLRBKDM4EMAPTPOLB
SCHEMBL31336086 0.85 GLRA3 (0.44) GLRA3GLRBKDM4EMAPTPOLB
SCHEMBL17378811 0.85 ALOX15 (0.50) GLRA3GLRBKDM4EASPHKDM8
SCHEMBL13145511 0.83 POLB (0.47) GLRA3GLRBEPHX2NR1H4KEAP1
SCHEMBL11346606 0.82 DGAT1 (0.43) GLRA3GLRBKDM4EMAPTPOLB
SCHEMBL15459951 0.81 GLRA3 (0.40) GLRA3GLRBKDM4EASPHKDM8
SCHEMBL15459989 0.81 ALDH1A1 (0.45) GLRA3GLRBKDM4EKEAP1NFE2L2
SCHEMBL13763265 0.79 POLB (0.47) GLRA3GLRBNR1H4KEAP1NFE2L2

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 GLRA3 827/4885GLRB 690/4885KDM4E 4304/4885

“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.