SCHEMBL18501546

SCHEMBL18501546

CCOC(=O)C[C@H](c1cccc(CP(C)(C)=O)c1)C1CC1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.39
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
F2 P00734 3/20 0.36
PRSS1 P07477 1/20 0.36
PGK1 P00558 3/20 0.36
PGK2 P07205 3/20 0.36
FFAR1 O14842 7/20 0.36
TP53 P04637 1/20 0.35

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
SCHEMBL18506430 0.89 MAPT (0.38) F10ALDH1A1TSHRF2PRSS1
SCHEMBL18506432 0.89 MAPT (0.38) F10ALDH1A1TSHRF2PRSS1
SCHEMBL16318904 0.86 F10 (0.41) F10F2PRSS1FFAR1TP53
SCHEMBL16319238 0.85 F10 (0.40) F10ALDH1A1TSHRF2PRSS1
SCHEMBL17428343 0.81 OPRD1 (0.44) F10ALDH1A1FFAR1
SCHEMBL17418579 0.81 OPRD1 (0.44) F10ALDH1A1FFAR1
SCHEMBL17428337 0.81 OPRD1 (0.44) F10ALDH1A1FFAR1
SCHEMBL16318614 0.80 FFAR1 (0.38) F10ALDH1A1F2PRSS1FFAR1
SCHEMBL20103265 0.78 FFAR1 (0.38) F10F2PRSS1PGK1PGK2
SCHEMBL21644862 0.78 FFAR1 (0.38) F10F2PRSS1PGK1PGK2

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
US-9920040-B2 GPR40 agonists for the treatment of type II diabetes JANSSEN PHARMACEUTICA NV (BE) 2018-03-20 US disclosed
US-9908873-B2 GPR40 agonists for the treatment of type II diabetes JANSSEN PHARMACEUTICA NV (BE) 2018-03-06 US disclosed
US-9856245-B2 GPR40 agonists for the treatment of type II diabetes JANSSEN PHARMACEUTICA NV (BE) 2018-01-02 US disclosed
US-20170044146-A1 GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2017-02-16 US disclosed
US-20170044148-A1 GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2017-02-16 US disclosed
US-20170044147-A1 GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2017-02-16 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 (3 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-20170044148-A1 GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES GPR119, GPR65, GPR52 F10 2703/4885ALDH1A1 3797/4885TSHR 287/4885
US-20170044146-A1 GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES GPR119, GPR65, GPR52 F10 2423/4885ALDH1A1 2953/4885TSHR 319/4885
US-20170044147-A1 GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES GPR119, GPR55, GPR65 F10 3086/4885ALDH1A1 3934/4885TSHR 211/4885

“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.