SCHEMBL22096409

SCHEMBL22096409

COC(=O)c1cc(O)cc(C#Cc2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
NOTUM Q6P988 2/20 0.47
CFTR P13569 1/20 0.43
PTPN11 Q06124 1/20 0.41
EGLN1 Q9GZT9 1/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
PTGS1 P23219 2/20 0.40
LMNA P02545 1/20 0.40
P2RY14 Q15391 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL9876492 0.84 PTPN11 (0.55) CA12CA1CA2CA7CA9
SCHEMBL3506718 0.78 NOTUM (0.68) CA12CA1CA2CA7CA9
SCHEMBL31144878 0.78 NOTUM (0.68) CA12CA1CA2CA7CA9
SCHEMBL29893239 0.76 CFTR (0.50) NOTUMCFTRPTPN11LMNAKDM4E
SCHEMBL14252071 0.76 CFTR (0.56) NOTUMCFTRPTPN11EGLN1KDM4E
SCHEMBL385370 0.74 LMNA (0.60) CA12CA1CA2CA7CA9
SCHEMBL12669342 0.74 KIF11 (0.64) EGLN1CYP1A1CYP1B1PTGS1LMNA
SCHEMBL672493 0.74 KIF11 (0.64) EGLN1CYP1A1CYP1B1PTGS1LMNA
SCHEMBL20031375 0.74 CA1 (0.56) CA12CA1CA2CA7CA9
SCHEMBL31710343 0.73 CFTR (0.56) NOTUMCFTRPTPN11MRGPRX4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3353161-B1 TRIAZOLE DERIVATIVES AS P2Y14 RECEPTOR ANTAGONISTS US HEALTH (US) 2021-07-21 EP disclosed
US-10683277-B2 Triazole derivatives as P2Y14 receptor antagonists THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2020-06-16 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 (1 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-10683277-B2 Triazole derivatives as P2Y14 receptor antagonists GPR119, P2RY14, P2RY4 CA12 4817/4885CA1 4636/4885CA2 3855/4885

“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.