SCHEMBL434752

SCHEMBL434752

O=C(O)CC(c1ccc(O)cc1)c1ccon1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.47
CHRM5 P08912 1/20 0.46
SLC6A3 Q01959 1/20 0.46
TAAR1 Q96RJ0 2/20 0.37
TSHR P16473 2/20 0.37
NFKB1 P19838 2/20 0.37
HTR3A P46098 1/20 0.37
HIF1A Q16665 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALOX15 P16050 1/20 0.36
APEX1 P27695 1/20 0.36
CA2 P00918 1/20 0.34
CAMK2A Q9UQM7 1/20 0.34
GABBR2 O75899 4/20 0.34
GABBR1 Q9UBS5 4/20 0.34
CYP2C19 P33261 3/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 2/20 0.34
CYP2C9 P11712 2/20 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
SCHEMBL14273258 1.00 FFAR1 (0.47) FFAR1CHRM5SLC6A3TAAR1TSHR
SCHEMBL27915144 0.87 FFAR1 (0.49) FFAR1CHRM5SLC6A3TSHRKDM4E
SCHEMBL12348760 0.84 FFAR1 (0.41) FFAR1CHRM5SLC6A3KMT2AALDH1A1
SCHEMBL432742 0.84 FFAR1 (0.41) FFAR1CHRM5SLC6A3KMT2AALDH1A1
SCHEMBL3661557 0.82 FFAR1 (0.45) FFAR1CHRM5SLC6A3HIF1AKDM4E
SCHEMBL3660607 0.82 FFAR1 (0.45) FFAR1CHRM5SLC6A3HIF1AKDM4E
SCHEMBL2242122 0.82 FFAR1 (0.41) FFAR1CHRM5SLC6A3TSHRKDM4E
SCHEMBL12348710 0.82 FFAR1 (0.41) FFAR1CHRM5SLC6A3TSHRKDM4E
SCHEMBL12348709 0.82 FFAR1 (0.41) FFAR1CHRM5SLC6A3TSHRKDM4E
SCHEMBL14273248 0.79 FFAR1 (0.52) FFAR1CHRM5SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108017603-B Tricyclic compounds and uses thereof 株式会社蒂奥姆生物 2021-07-23 CN disclosed
EP-2595952-B1 AGONISTS OF GPR40 CONNEXIOS LIFE SCIENCES PVT LTD (IN) 2020-11-18 EP disclosed
US-9643946-B2 Tricyclic compound and use thereof SK CHEMICALS CO., LTD. (KR) 2017-05-09 US disclosed
US-9278915-B2 Agonists of GPR40 CONNEXIOS LIFE SCIENCES PVT LTD (IN) 2016-03-08 US disclosed
US-9278915-B2 Agonists of GPR40 CONNEXIOS LIFE SCIENCES PVT LTD (IN) 2016-03-08 US disclosed
US-9278915-B2 Agonists of GPR40 CONNEXIOS LIFE SCIENCES PVT LTD (IN) 2016-03-08 US disclosed
US-20160009677-A1 TRICYCLIC COMPOUND AND USE THEREOF SK CHEMICALS CO., LTD. (KR) 2016-01-14 US disclosed
EP-2963027-A1 TRICYCLIC COMPOUND AND USE THEREOF SK Chemicals Co., Ltd. (KR) 2016-01-06 EP disclosed
US-20130237571-A1 AGONISTS OF GPR40 Conexios Life Sciences PVT. LTD. (IN) 2013-09-12 US disclosed
US-20130237571-A1 AGONISTS OF GPR40 Conexios Life Sciences PVT. LTD. (IN) 2013-09-12 US disclosed
US-20130237571-A1 AGONISTS OF GPR40 Conexios Life Sciences PVT. LTD. (IN) 2013-09-12 US disclosed
CN-103228622-A Agonists of gpr40 CONNEXIOS LIFE SCIENCES PVT LTD 2013-07-31 CN disclosed
EP-2595952-A1 AGONISTS OF GPR40 Connexios Life Sciences Pvt. Ltd. (IN) 2013-05-29 EP disclosed
WO-2012011125-A1 AGONISTS OF GPR40 CONNEXIOS LIFE SCIENCES PVT. LTD. (IN) 2012-01-26 WO disclosed
WO-2012011125-A1 AGONISTS OF GPR40 CONNEXIOS LIFE SCIENCES PVT. LTD. (IN) 2012-01-26 WO disclosed
US-7687526-B2 Benzo-fused compounds for use in treating metabolic disorders AMGEN INC. (US) 2010-03-30 US disclosed
US-7687526-B2 Benzo-fused compounds for use in treating metabolic disorders AMGEN INC. (US) 2010-03-30 US disclosed
US-20080119511-A1 Benzo-fused compounds for use in treating metabolic disorders AMGEN INC. (US) 2008-05-22 US disclosed
US-20080119511-A1 Benzo-fused compounds for use in treating metabolic disorders AMGEN INC. (US) 2008-05-22 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-20130237571-A1 AGONISTS OF GPR40 GPR65, GPR55, GPR68 FFAR1 24/4885CHRM5 207/4885SLC6A3 1825/4885
US-20160009677-A1 TRICYCLIC COMPOUND AND USE THEREOF GPR65, GPR119, GPR35 FFAR1 22/4885CHRM5 467/4885SLC6A3 1500/4885
US-20080119511-A1 Benzo-fused compounds for use in treating metabolic disorders GOT2, PC, GLS2 FFAR1 549/4885CHRM5 2108/4885SLC6A3 2078/4885

“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.