SCHEMBL20103296

SCHEMBL20103296

COc1ccc(F)c(C2=CCC(CO)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.46
IDH2 P48735 1/20 0.40
SLC6A4 P31645 1/20 0.39
FFAR1 O14842 3/20 0.37
EED O75530 1/20 0.36
KDM1A O60341 1/20 0.36
MAPT P10636 1/20 0.36
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
CYP26A1 O43174 1/20 0.35
MTNR1B P49286 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
AURKB Q96GD4 1/20 0.35
GRK6 P43250 1/20 0.34

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
SCHEMBL20103431 0.85 ESR2 (0.46) ESR2SLC6A4KDM1AMAPTCCNT1
SCHEMBL31638693 0.84 ESR2 (0.43) ESR2SLC6A4MAPTCYP26A1MTNR1B
SCHEMBL31638726 0.84 ESR2 (0.43) ESR2IDH2SLC6A4EEDMAPT
SCHEMBL20103422 0.83 SLC6A4 (0.44) IDH2SLC6A4FFAR1KDM1ACCNT1
SCHEMBL31638831 0.81 ESR2 (0.43) ESR2SLC6A4MAPTCYP26A1
SCHEMBL20103515 0.81 ESR2 (0.47) ESR2CCNT1CDK9
SCHEMBL20103308 0.78 CCNT1 (0.42) ESR2FFAR1CCNT1CDK9
SCHEMBL24646677 0.78 IDH2 (0.41) IDH2SLC6A4MAPTCCNT1CDK9
SCHEMBL20103466 0.76 CDK9 (0.46) MAPTCCNT1CDK9MTNR1BL3MBTL1
SCHEMBL12738759 0.76 ESR2 (0.39) ESR2SLC6A4FFAR1CYP26A1L3MBTL1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220226298-A1 GPR40 AGONISTS KALLYOPE, INC. 2022-07-21 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-10988433-B2 Cyclohexyl GPR40 agonists for the treatment of type II diabetes JANSSEN PHARMACEUTICA NV (BE) 2021-04-27 US disclosed
WO-2020242943-A1 GPR40 AGONISTS KALLYOPE, INC. (US) 2020-12-03 WO 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 (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-20220226298-A1 GPR40 AGONISTS GPR119, GPR65, GLP1R ESR2 552/4885IDH2 1690/4885SLC6A4 596/4885
US-20200039914-A1 CYCLOHEXYL GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES GPR119, GPR65, GPR55 ESR2 97/4885IDH2 4099/4885SLC6A4 3848/4885
US-10988433-B2 Cyclohexyl GPR40 agonists for the treatment of type II diabetes GPR119, GPR65, GPR55 ESR2 97/4885IDH2 4099/4885SLC6A4 3848/4885

“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.