SCHEMBL20190107

SCHEMBL20190107

CC(CS(N)(=O)=O)c1ncc(F)cn1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APLNR P35414 7/20 0.40
ADAMTS4 O75173 6/20 0.37
MMP13 P45452 4/20 0.37
MMP14 P50281 4/20 0.37
KCNH2 Q12809 3/20 0.37
CYP3A4 P08684 1/20 0.37
MMP1 P03956 2/20 0.34
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
JAK2 O60674 2/20 0.31
JAK3 P52333 1/20 0.31
MMP2 P08253 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL20188375 1.00 APLNR (0.40) APLNRADAMTS4MMP13MMP14KCNH2
SCHEMBL20188351 1.00 APLNR (0.40) APLNRADAMTS4MMP13MMP14KCNH2
SCHEMBL20200600 0.84 APLNR (0.41) APLNRADAMTS4MMP13MMP14KCNH2
SCHEMBL22537352 0.84 APLNR (0.56) APLNRCA1CA2
SCHEMBL20190946 0.84 APLNR (0.41) APLNRADAMTS4MMP13MMP14KCNH2
SCHEMBL20188961 0.84 APLNR (0.41) APLNRADAMTS4MMP13MMP14KCNH2
SCHEMBL30647959 0.76 APLNR (0.50) APLNRPTGS1PTGS2
SCHEMBL23549429 0.73 APLNR (0.71) APLNR
SCHEMBL20187759 0.73 APLNR (0.71) APLNR
SCHEMBL18246512 0.73 APLNR (0.71) APLNR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11807624-B2 Substituted pyrimidinones as agonists of the APJ receptor AMGEN INC. (US) 2023-11-07 US disclosed
US-20210246118-A1 SUBSTITUTED PYRIMIDINONES AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2021-08-12 US disclosed
EP-3541792-B1 TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2020-12-23 EP disclosed
EP-3541792-B1 TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2020-12-23 EP disclosed
US-10736883-B2 Triazole furan compounds as agonists of the APJ receptor AMGEN INC. (US) 2020-08-11 US disclosed
EP-3541792-A1 TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR Amgen Inc. (US) 2019-09-25 EP disclosed
US-20190275008-A1 TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2019-09-12 US disclosed
WO-2018097944-A1 TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2018-05-31 WO disclosed
WO-2018097944-A1 TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2018-05-31 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 (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-20190275008-A1 TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR TBXA2R, AGTR1, APLNR APLNR 3/4885ADAMTS4 3849/4885MMP13 4151/4885
US-20210246118-A1 SUBSTITUTED PYRIMIDINONES AS AGONISTS OF THE APJ RECEPTOR APLNR, AGTR1, AGTR2 APLNR 1/4885ADAMTS4 4400/4885MMP13 4523/4885
US-10736883-B2 Triazole furan compounds as agonists of the APJ receptor TBXA2R, AGTR1, APLNR APLNR 3/4885ADAMTS4 3849/4885MMP13 4151/4885
US-11807624-B2 Substituted pyrimidinones as agonists of the APJ receptor APLNR, AGTR1, AGTR2 APLNR 1/4885ADAMTS4 4400/4885MMP13 4523/4885

“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.