SCHEMBL18469744

SCHEMBL18469744

CC(C)(C)c1ccc(Cl)cc1S(C)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 11/20 0.44
ACLY P53396 1/20 0.39
TRPV4 Q9HBA0 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2C P18825 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MCL1 Q07820 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL16019362 0.85 CCR2 (0.41) CCR2TRPV4ADRA2AADRA2CADRA1D
SCHEMBL28099680 0.85 CCR2 (0.51) CCR2MCL1
SCHEMBL18254210 0.78 L3MBTL1 (0.38) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL4589791 0.77 MCL1 (0.56) CCR2TSHRMCL1ALDH1A1KDM4E
SCHEMBL31239603 0.77 MCL1 (0.56) CCR2TSHRMCL1ALDH1A1KDM4E
SCHEMBL13141649 0.76 PTGS2 (0.40) CCR2ADRA2AADRA2CADRA1DADRA1A
SCHEMBL4012968 0.75 CCR2 (0.56) CCR2ACLYTRPV4
SCHEMBL30762457 0.75 CCR2 (0.56) CCR2ACLYTRPV4
SCHEMBL8406304 0.75 CDK1 (0.51) CCR2TRPV4CYP3A4ALDH1A1
SCHEMBL23148806 0.73 TSHR (0.53) CCR2TRPV4ADRA2AADRA2CADRA1D

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11191762-B2 Alkyl substituted triazole compounds as agonists of the APJ Receptor AMGEN INC. (US) 2021-12-07 US disclosed
US-11149040-B2 Fused triazole agonists of the APJ receptor AMGEN INC. (US) 2021-10-19 US disclosed
US-11046680-B1 Heteroaryl-substituted triazoles as APJ receptor agonists AMGEN INC. (US) 2021-06-29 US disclosed
US-11020395-B2 Cycloalkyl substituted triazole compounds as agonists of the APJ receptor AMGEN INC. (US) 2021-06-01 US disclosed
US-10906890-B2 Triazole phenyl compounds as agonists of the APJ receptor AMGEN INC. (US) 2021-02-02 US disclosed
US-20200308189-A1 FUSED TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2020-10-01 US disclosed
US-10736883-B2 Triazole furan compounds as agonists of the APJ receptor AMGEN INC. (US) 2020-08-11 US disclosed
US-20190290648-A1 CYCLOALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2019-09-26 US disclosed
US-20190290647-A1 ALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2019-09-26 US disclosed
US-20190284173-A1 TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2019-09-19 US disclosed
US-9573936-B2 Triazole agonists of the APJ receptor AMGEN INC. (US) 2017-02-21 US disclosed
US-20170042872-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2017-02-16 US disclosed
US-20170042897-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2017-02-16 US disclosed
US-20170042872-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2017-02-16 US disclosed
US-20170042897-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2017-02-16 US disclosed
US-20170044131-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2017-02-16 US disclosed
US-20170042871-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2017-02-16 US disclosed
US-20170037026-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2017-02-09 US disclosed
US-20170037026-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2017-02-09 US disclosed
US-20170035744-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2017-02-09 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 (16 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-20200308189-A1 FUSED TRIAZOLE AGONISTS OF THE APJ RECEPTOR TBXA2R, AP3M1, GPBAR1 CCR2 2986/4885ACLY 3358/4885TRPV4 510/4885
US-20170042871-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR TBXA2R, AGTR1, AGTR2 CCR2 1460/4885ACLY 3578/4885TRPV4 389/4885
US-20190284173-A1 TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AGTR1, AGTR2, TBXA2R CCR2 1267/4885ACLY 4060/4885TRPV4 274/4885
US-11046680-B1 Heteroaryl-substituted triazoles as APJ receptor agonists AGTR1, AGTR2, TBXA2R CCR2 1410/4885ACLY 3939/4885TRPV4 799/4885
US-11191762-B2 Alkyl substituted triazole compounds as agonists of the APJ Receptor AGTR1, AGTR2, APLNR CCR2 1068/4885ACLY 4032/4885TRPV4 555/4885
US-20170044131-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR TBXA2R, AGTR1, AGTR2 CCR2 1460/4885ACLY 3578/4885TRPV4 389/4885
US-11020395-B2 Cycloalkyl substituted triazole compounds as agonists of the APJ receptor AGTR1, AGTR2, TBXA2R CCR2 540/4885ACLY 3653/4885TRPV4 398/4885
US-20170042872-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR TBXA2R, AGTR1, AGTR2 CCR2 1460/4885ACLY 3578/4885TRPV4 389/4885
US-10906890-B2 Triazole phenyl compounds as agonists of the APJ receptor AGTR1, AGTR2, TBXA2R CCR2 1267/4885ACLY 4060/4885TRPV4 274/4885
US-20170037026-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR TBXA2R, AGTR1, AGTR2 CCR2 1460/4885ACLY 3578/4885TRPV4 389/4885
US-20190290647-A1 ALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AGTR1, AGTR2, APLNR CCR2 1068/4885ACLY 4032/4885TRPV4 555/4885
US-11149040-B2 Fused triazole agonists of the APJ receptor TBXA2R, AP3M1, GPBAR1 CCR2 2986/4885ACLY 3358/4885TRPV4 510/4885
US-10736883-B2 Triazole furan compounds as agonists of the APJ receptor TBXA2R, AGTR1, APLNR CCR2 1521/4885ACLY 3908/4885TRPV4 257/4885
US-20190290648-A1 CYCLOALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AGTR1, AGTR2, TBXA2R CCR2 540/4885ACLY 3653/4885TRPV4 398/4885
US-20170042897-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR TBXA2R, AGTR1, AGTR2 CCR2 1460/4885ACLY 3578/4885TRPV4 389/4885
US-20170035744-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR TBXA2R, AGTR1, AGTR2 CCR2 1460/4885ACLY 3578/4885TRPV4 389/4885

“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.