SCHEMBL3554496

SCHEMBL3554496

C#Cc1cc(F)cc(C(=O)OC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.52
GLRB P48167 1/20 0.52
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 3/20 0.43
POLB P06746 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
GAA P10253 1/20 0.43
NFKB1 P19838 1/20 0.43
XDH P47989 1/20 0.43
GFER P55789 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43

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
SCHEMBL18680588 0.87 GLRA3 (0.59) GLRA3GLRBCA12CA1CA2
SCHEMBL2065024 0.87 GLRA3 (0.59) GLRA3GLRBCA12CA1CA2
SCHEMBL16960854 0.83 CA12 (0.44) GLRA3GLRBCA12CA1CA2
SCHEMBL3171046 0.83
SCHEMBL521670 0.81 CA1 (0.58) CA12CA1CA2CA7CA9
SCHEMBL1401499 0.81 CA1 (0.58) CA12CA1CA2CA7CA9
SCHEMBL20633340 0.81 GLRA3 (0.54) GLRA3GLRBCA12CA1CA2
SCHEMBL21248382 0.79 NOTUM (0.53) GLRA3GLRBCA12CA1CA2
SCHEMBL15485016 0.79 GLRA3 (0.52) GLRA3GLRBCA12CA1CA2
SCHEMBL20610058 0.79 NOTUM (0.60) GLRA3GLRBCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110869350-B Alkynyl compounds, their preparation and their therapeutic use 赛诺菲 2023-05-02 CN disclosed
US-11078160-B2 Ethynyl compounds, their preparation and their therapeutic use for the treatment of malaria SANOFI (FR) 2021-08-03 US disclosed
US-11078160-B2 Ethynyl compounds, their preparation and their therapeutic use for the treatment of malaria SANOFI (FR) 2021-08-03 US disclosed
US-20200281909-A1 ETHYNYL COMPOUNDS, THEIR PREPARATION AND THEIR THERAPEUTIC USE FOR THE TREATMENT OF MALARIA SANOFI-AVENTIS RECHERCHE & DEVELOPPEMENT (FR) 2020-09-10 US disclosed
US-20200281909-A1 ETHYNYL COMPOUNDS, THEIR PREPARATION AND THEIR THERAPEUTIC USE FOR THE TREATMENT OF MALARIA SANOFI-AVENTIS RECHERCHE & DEVELOPPEMENT (FR) 2020-09-10 US disclosed
EP-3649109-A1 ETHYNYL COMPOUNDS, THEIR PREPARATION AND THEIR THERAPEUTIC USE FOR THE TREATMENT OF MALARIA Sanofi (FR) 2020-05-13 EP disclosed
CN-110869350-A Alkynyl compounds, their preparation and their therapeutic use 赛诺菲 2020-03-06 CN disclosed
WO-2019008027-A1 ETHYNYL COMPOUNDS, THEIR PREPARATION AND THEIR THERAPEUTIC USE FOR THE TREATMENT OF MALARIA SANOFI (FR) 2019-01-10 WO disclosed
WO-2019008027-A1 ETHYNYL COMPOUNDS, THEIR PREPARATION AND THEIR THERAPEUTIC USE FOR THE TREATMENT OF MALARIA SANOFI (FR) 2019-01-10 WO disclosed
US-8268855-B2 1,6-dihydro-1,3,5,6-tetraaza-as-indacene based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-18 US disclosed
US-20100210629-A1 1,6-DIHYDRO-1,3,5,6-TETRAAZA-AS-INDACENE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME BRISTOL-MYERS SQUIBB COMPANY 2010-08-19 US disclosed
US-7737279-B2 1,6-dihydro-1,3,5,6-tetraaza-as-indacene based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-15 US disclosed
US-7737279-B2 1,6-dihydro-1,3,5,6-tetraaza-as-indacene based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-15 US disclosed
US-20060270654-A1 1,6-Dihydro-1,3,5,6-Tetraaza-as-indacene based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY 2006-11-30 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 (4 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-11078160-B2 Ethynyl compounds, their preparation and their therapeutic use for the treatment of malaria CYP11B2, CYP11B1, RHOT2 GLRA3 2211/4885GLRB 3268/4885CA12 2841/4885
US-20100210629-A1 1,6-DIHYDRO-1,3,5,6-TETRAAZA-AS-INDACENE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME IL1R1, IDO1, TLR1 GLRA3 2081/4885GLRB 3692/4885CA12 3385/4885
US-20060270654-A1 1,6-Dihydro-1,3,5,6-Tetraaza-as-indacene based tricyclic compounds and pharmaceutical compositions comprising same IL1R1, IDO1, TLR1 GLRA3 2081/4885GLRB 3692/4885CA12 3385/4885
US-20200281909-A1 ETHYNYL COMPOUNDS, THEIR PREPARATION AND THEIR THERAPEUTIC USE FOR THE TREATMENT OF MALARIA CYP11B2, CYP11B1, RHOT2 GLRA3 2211/4885GLRB 3268/4885CA12 2841/4885

“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.