SCHEMBL21264025

SCHEMBL21264025

COC(=O)c1cc(NC(=O)c2ccc(C(F)(F)F)cc2)cc(-c2ccc(C(N)=O)cc2)c1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 6/20 0.77
KDM4E B2RXH2 1/20 0.54
PLAU P00749 2/20 0.51
PLAT P00750 2/20 0.51
PTPN1 P18031 2/20 0.48
PLG P00747 1/20 0.48
PTPN11 Q06124 1/20 0.48
TRPV1 Q8NER1 2/20 0.47
PTGS1 P23219 3/20 0.47
DHODH Q02127 1/20 0.46
KIF11 P52732 1/20 0.46
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL21248157 0.92 P2RY14 (0.77) P2RY14KDM4EPLAUPLATPTPN1
SCHEMBL21247973 0.88 P2RY14 (0.60) P2RY14PLAUPLATPTPN1PLG
SCHEMBL21263941 0.87 P2RY14 (1.00) P2RY14PLAUPLATPLGPTGS1
SCHEMBL18172325 0.81 P2RY14 (0.50) P2RY14KDM4EPTPN1KIF11LMNA
SCHEMBL30608326 0.79 P2RY14 (0.81) P2RY14KDM4EPTPN1TRPV1
SCHEMBL29691863 0.79 P2RY14 (0.81) P2RY14KDM4EPTPN1TRPV1
SCHEMBL21248309 0.79 P2RY14 (1.00) P2RY14PLAUPLATPLGTRPV1
SCHEMBL18172327 0.77 CFTR (0.51) P2RY14PTGS1DHODHKIF11
SCHEMBL22721382 0.77 PTGS1 (0.76) P2RY14PLAUPLATPLGTRPV1
SCHEMBL13063663 0.76 LMNA (0.56) PTPN1KIF11LMNA

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-11584736-B2 Heterocyclic P2Y14 receptor antagonists THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-02-21 US disclosed
US-11584736-B2 Heterocyclic P2Y14 receptor antagonists THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-02-21 US disclosed
US-20210047293-A1 HETEROCYCLIC P2Y14 RECEPTOR ANTAGONISTS THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2021-02-18 US disclosed
US-20210047293-A1 HETEROCYCLIC P2Y14 RECEPTOR ANTAGONISTS THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2021-02-18 US disclosed
WO-2019157417-A1 HETEROCYCLIC P2Y14 RECEPTOR ANTAGONISTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2019-08-15 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-11584736-B2 Heterocyclic P2Y14 receptor antagonists P2RY14, P2RY1, P2RY13 P2RY14 1/4885KDM4E 3486/4885PLAU 1548/4885
US-20210047293-A1 HETEROCYCLIC P2Y14 RECEPTOR ANTAGONISTS P2RY14, P2RY1, P2RY13 P2RY14 1/4885KDM4E 3486/4885PLAU 1548/4885

“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.