SCHEMBL21645002

SCHEMBL21645002

CC(F)(C(=O)O)[C@H](c1cccc(OS(=O)(=O)C(F)(F)F)c1)C1CC1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 9/20 0.53
DRD2 P14416 2/20 0.40
DRD1 P21728 2/20 0.40
DRD4 P21917 2/20 0.40
DRD5 P21918 2/20 0.40
DRD3 P35462 2/20 0.40
CXCR2 P25025 2/20 0.37
HSD11B1 P28845 1/20 0.37
CXCR1 P25024 1/20 0.36

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
SCHEMBL21645004 1.00 FFAR1 (0.53) FFAR1DRD2DRD1DRD4DRD5
SCHEMBL21644846 0.90 FFAR1 (0.49) FFAR1DRD2DRD1DRD4DRD5
SCHEMBL21644842 0.90 FFAR1 (0.49) FFAR1DRD2DRD1DRD4DRD5
SCHEMBL21644844 0.90 FFAR1 (0.49) FFAR1DRD2DRD1DRD4DRD5
SCHEMBL29715919 0.89 FFAR1 (0.44) FFAR1DRD2DRD1DRD4DRD5
SCHEMBL20103584 0.86 FFAR1 (0.66) FFAR1
SCHEMBL21644949 0.81 FFAR1 (0.52) FFAR1
SCHEMBL21644948 0.81 FFAR1 (0.52) FFAR1
SCHEMBL29454631 0.81 FFAR1 (0.58) FFAR1
SCHEMBL21644929 0.80 FFAR1 (0.48) FFAR1

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-10988433-B2 Cyclohexyl GPR40 agonists for the treatment of type II diabetes JANSSEN PHARMACEUTICA NV (BE) 2021-04-27 US disclosed
US-20200039914-A1 CYCLOHEXYL GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN RESEARCH & DEVELOPMENT, LLC 2020-02-06 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 (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-20200039914-A1 CYCLOHEXYL GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES GPR119, GPR65, GPR55 FFAR1 16/4885DRD2 1097/4885DRD1 1694/4885
US-10988433-B2 Cyclohexyl GPR40 agonists for the treatment of type II diabetes GPR119, GPR65, GPR55 FFAR1 16/4885DRD2 1097/4885DRD1 1694/4885

“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.