Sugi Predict

Sugi Predict / Compounds / SCHEMBL20103176

SCHEMBL20103176

SCHEMBL20103176

COc1cc([C@H]2CC[C@H](CO)CC2)c(F)cn1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 11/20 0.43
▸ FFAR4 Q5NUL3 1/20 0.40
▸ TLR9 Q9NR96 1/20 0.35
▸ TLR8 Q9NR97 1/20 0.35
▸ TLR7 Q9NYK1 1/20 0.35
▸ ALOX5AP P20292 2/20 0.33
▸ FEN1 P39748 2/20 0.33
▸ CSNK2A2 P19784 1/20 0.33
▸ CSNK2A1 P68400 1/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNB4 P30926 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ CHRNA2 Q15822 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ PDE5A O76074 2/20 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
SCHEMBL20103177 1.00 FFAR1 (0.43) FFAR1FFAR4TLR9TLR8TLR7
SCHEMBL21644913 1.00 FFAR1 (0.43) FFAR1FFAR4TLR9TLR8TLR7
SCHEMBL21644893 0.88 FFAR1 (0.35) FFAR1FFAR4ESR1CYP3A4CYP2C9
SCHEMBL20103360 0.88 FFAR1 (0.35) FFAR1FFAR4ESR1CYP3A4CYP2C9
SCHEMBL20103675 0.81 ALOX5AP (0.41) FFAR1FFAR4TLR9TLR8TLR7
SCHEMBL20103605 0.81 FFAR1 (0.40) FFAR1FFAR4TLR9TLR8TLR7
SCHEMBL20103352 0.80 ESR1 (0.40) ESR1CYP3A4CYP2C9ESR2
SCHEMBL20103354 0.80 ESR1 (0.40) ESR1CYP3A4CYP2C9ESR2
SCHEMBL20103485 0.77 FFAR1 (0.42) FFAR1FFAR4TLR9TLR8TLR7
SCHEMBL20103378 0.76 CNR2 (0.34) FFAR1FFAR4

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 5 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-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
US-20200039914-A1 CYCLOHEXYL GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN RESEARCH & DEVELOPMENT, LLC 2020-02-06 — — US disclosed
WO-2018081047-A1 CYCLOHEXYL GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2018-05-03 — — WO 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 16/4885FFAR4 22/4885TLR9 709/4885
US-10988433-B2 Cyclohexyl GPR40 agonists for the treatment of type II diabetes GPR119, GPR65, GPR55 FFAR1 16/4885FFAR4 22/4885TLR9 709/4885

“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.