SCHEMBL19436124

SCHEMBL19436124

Cc1ccccc1-c1c(C(F)(F)F)sc2ccc(CO)cc12

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 10/20 0.47
▸ PDK2 Q15119 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ ESR1 P03372 1/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ TACR1 P25103 3/20 0.34
▸ SLC9A1 P19634 1/20 0.32
▸ PLK1 P53350 1/20 0.32
▸ S1PR4 O95977 1/20 0.32
▸ S1PR1 P21453 1/20 0.32
▸ S1PR3 Q99500 1/20 0.32
▸ S1PR5 Q9H228 1/20 0.32

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
SCHEMBL19436039 0.88 FFAR1 (0.47) FFAR1ESR1ESR2TACR1
SCHEMBL19435929 0.83 FFAR1 (0.44) FFAR1PDK2HSD17B10SLC9A1
SCHEMBL19435966 0.83 FFAR1 (0.43) FFAR1PDK2HSD17B10SLC9A1
SCHEMBL19436037 0.82 FFAR1 (0.44) FFAR1HSD17B10SLC9A1S1PR1
SCHEMBL19436148 0.81 FFAR1 (0.44) FFAR1PDK2HSD17B10SLC9A1
SCHEMBL19436265 0.81 FFAR1 (0.44) FFAR1PDK2HSD17B10SLC9A1
SCHEMBL19436086 0.80 FFAR1 (0.49) FFAR1ESR1ESR2TACR1S1PR4
SCHEMBL19436248 0.79 FFAR1 (0.47) FFAR1HSD17B10SLC9A1
SCHEMBL19436088 0.78 FFAR1 (0.56) FFAR1
SCHEMBL19435905 0.77 FFAR1 (0.47) FFAR1HSD17B10SLC9A1

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-10106553-B2 Substituted benzothiophenyl derivatives as GPR40 agonists for the treatment of type II diabetes JANSSEN PHARMACEUTICA NV (BE) 2018-10-23 — — US disclosed
WO-2017180571-A1 SUBSTITUTED BENZOTHIOPHENYL DERIVATIVES AS GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2017-10-19 — — WO disclosed
US-20170291908-A1 SUBSTITUTED BENZOTHIOPHENYL DERIVATIVES AS GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2017-10-12 — — 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-20170291908-A1 SUBSTITUTED BENZOTHIOPHENYL DERIVATIVES AS GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES GPR119, GPR65, GPR52 FFAR1 11/4885PDK2 1510/4885HSD17B10 1077/4885
US-10106553-B2 Substituted benzothiophenyl derivatives as GPR40 agonists for the treatment of type II diabetes GPR119, GPR65, GPR52 FFAR1 11/4885PDK2 1510/4885HSD17B10 1077/4885

“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.

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