SCHEMBL20181382

SCHEMBL20181382

C[C@@H](N=C=S)c1cc(F)cc(F)c1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MIF P14174 4/20 0.53
TRPA1 O75762 2/20 0.37
TRPV1 Q8NER1 2/20 0.37
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31

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
SCHEMBL21406285 1.00 MIF (0.53) MIFTRPA1TRPV1CES2CES1
SCHEMBL20181383 1.00 MIF (0.53) MIFTRPA1TRPV1CES2CES1
SCHEMBL21424454 0.80 MIF (0.46) MIFTRPA1TRPV1
SCHEMBL21406435 0.80 MIF (0.46) MIFTRPA1TRPV1
SCHEMBL21406434 0.80 MIF (0.46) MIFTRPA1TRPV1
SCHEMBL1457324 0.79 MIF (0.64) MIFTRPA1TRPV1
SCHEMBL3923883 0.79 MIF (0.64) MIFTRPA1TRPV1
SCHEMBL8762285 0.75 MIF (0.78) MIFTRPA1TRPV1
SCHEMBL10432251 0.75 MIF (0.58) MIFTRPA1TRPV1
SCHEMBL20181384 0.75 MIF (0.58) MIFTRPA1TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3541803-B1 TRIAZOLE PYRIDYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2020-12-23 EP disclosed
EP-3541803-B1 TRIAZOLE PYRIDYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2020-12-23 EP disclosed
US-10689367-B2 Triazole pyridyl compounds as agonists of the APJ receptor AMGEN INC. (US) 2020-06-23 US disclosed
US-10689367-B2 Triazole pyridyl compounds as agonists of the APJ receptor AMGEN INC. (US) 2020-06-23 US disclosed
US-20190300507-A1 TRIAZOLE PYRIDYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2019-10-03 US disclosed
US-20190300507-A1 TRIAZOLE PYRIDYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2019-10-03 US disclosed
WO-2018093580-A1 TRIAZOLE PYRIDYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2018-05-24 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-20190300507-A1 TRIAZOLE PYRIDYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR TBXA2R, AGTR1, APLNR MIF 4625/4885TRPA1 644/4885TRPV1 232/4885
US-10689367-B2 Triazole pyridyl compounds as agonists of the APJ receptor TBXA2R, AGTR1, APLNR MIF 4641/4885TRPA1 573/4885TRPV1 206/4885

“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.