SCHEMBL18094053

SCHEMBL18094053

C[C@@H]1[C@@H](C)CN(C(=O)OC(C)(C)C)[C@H]1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.40
NR1H2 P55055 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
USP2 O75604 1/20 0.35
HSD11B1 P28845 1/20 0.33
HPGD P15428 1/20 0.33
PREP P48147 1/20 0.33
BTK Q06187 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
SCHEMBL18611180 1.00 HSD17B10 (0.40) HSD17B10NR1H2CHRM2CHRM1CHRM3
SCHEMBL15116885 1.00 HSD17B10 (0.40) HSD17B10NR1H2CHRM2CHRM1CHRM3
SCHEMBL30591306 1.00 HSD17B10 (0.40) HSD17B10NR1H2CHRM2CHRM1CHRM3
SCHEMBL18669621 0.89 HSD17B10 (0.46) HSD17B10NR1H2CHRM2CHRM1CHRM3
SCHEMBL1948729 0.89 HSD17B10 (0.46) HSD17B10NR1H2CHRM2CHRM1CHRM3
SCHEMBL23925570 0.89 HSD17B10 (0.46) HSD17B10NR1H2CHRM2CHRM1CHRM3
SCHEMBL17986813 0.89 HSD17B10 (0.46) HSD17B10NR1H2CHRM2CHRM1CHRM3
SCHEMBL29984534 0.89 HSD17B10 (0.46) HSD17B10NR1H2CHRM2CHRM1CHRM3
SCHEMBL883210 0.87 HSD17B10 (0.39) HSD17B10NR1H2CHRM2CHRM1CHRM3
SCHEMBL874850 0.87 HSD17B10 (0.39) HSD17B10NR1H2CHRM2CHRM1CHRM3

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-9714231-B2 Pyrrolidine GPR40 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-07-25 US disclosed
EP-2925741-B1 PYRROLIDINE GPR40 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2016-10-26 EP disclosed
US-20160280680-A1 PYRROLIDINE GPR40 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2016-09-29 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 (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-20160280680-A1 PYRROLIDINE GPR40 MODULATORS GPR55, GPR65, GPR27 HSD17B10 1281/4885NR1H2 160/4885CHRM2 559/4885

“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.