SCHEMBL20522606

SCHEMBL20522606

O=C(O)/C=C/CCOc1cnc(OCc2ccccc2)cc1I

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 5/20 0.43
PTGER2 P43116 5/20 0.43
PTGER1 P34995 4/20 0.43
PTGER3 P43115 4/20 0.43
FFAR1 O14842 2/20 0.41
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
PKM P14618 1/20 0.39
LMNA P02545 1/20 0.38
HCAR2 Q8TDS4 1/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37

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
SCHEMBL28345643 0.87 MAPT (0.42) PTGER4PTGER2PTGER1PTGER3FFAR1
SCHEMBL22712757 0.79 GABRP (0.42) FFAR1KDM4EALDH1A1PKMGABRP
SCHEMBL26699031 0.76 FFAR1 (0.42) PTGER4PTGER2PTGER1PTGER3FFAR1
SCHEMBL1935936 0.73 GABRG2 (0.43) FFAR1ALDH1A1PKMLMNAGABRP
SCHEMBL19990182 0.73 HCAR2 (0.53) PTGER4PTGER2PTGER1PTGER3KDM4E
SCHEMBL2351836 0.73 HCAR2 (0.53) PTGER4PTGER2PTGER1PTGER3KDM4E
SCHEMBL23663360 0.71 ABCB1 (0.51) FFAR1
SCHEMBL30814775 0.71 GABRP (0.39) FFAR1KDM4EALDH1A1PKMLMNA
SCHEMBL20522564 0.70 GABRG2 (0.48) FFAR1KDM4ELMNAGABRPGABRD
SCHEMBL31305610 0.70 GABRG2 (0.48) FFAR1KDM4ELMNAGABRPGABRD

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-10968231-B2 Substituted cyclyl-acetic acid derivatives for the treatment of metabolic disorders SCOHIA PHARMA, INC. (JP) 2021-04-06 US disclosed
US-20200377509-A1 SUBSTITUTED CYCLYL-ACETIC ACID DERIVATIVES FOR THE TREATMENT OF METABOLIC DISORDERS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-12-03 US disclosed
EP-3601260-A1 SUBSTITUTED CYCLYL-ACETIC ACID DERIVATIVES FOR THE TREATMENT OF METABOLIC DISORDERS Takeda Pharmaceutical Company Limited (JP) 2020-02-05 EP disclosed
CN-110678458-A Substituted cyclyl-acetic acid derivatives for the treatment of metabolic disorders 武田药品工业株式会社 2020-01-10 CN disclosed
WO-2018182050-A1 SUBSTITUTED CYCLYL-ACETIC ACID DERIVATIVES FOR THE TREATMENT OF METABOLIC DISORDERS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-10-04 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-10968231-B2 Substituted cyclyl-acetic acid derivatives for the treatment of metabolic disorders GLP1R, GPR119, GPR65 PTGER4 1868/4885PTGER2 3051/4885PTGER1 1248/4885
US-20200377509-A1 SUBSTITUTED CYCLYL-ACETIC ACID DERIVATIVES FOR THE TREATMENT OF METABOLIC DISORDERS GLP1R, GPR119, GPR65 PTGER4 1868/4885PTGER2 3051/4885PTGER1 1248/4885

“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.