SCHEMBL21264034

SCHEMBL21264034

COC(=O)c1cc(Br)cc(-c2cc3cc(C(F)(F)F)ccc3[nH]2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.54
ASIC3 Q9UHC3 2/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.41
P2RY14 Q15391 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HRH4 Q9H3N8 1/20 0.39
CFTR P13569 1/20 0.39
PLD2 O14939 1/20 0.38
PLD1 Q13393 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
MAPT P10636 1/20 0.37
HDAC11 Q96DB2 2/20 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
SCHEMBL21248310 0.91 NOTUM (0.54) NOTUMASIC3PTGDR2P2RY14KDM4E
SCHEMBL21264061 0.83 P2RY14 (0.57) PTGDR2P2RY14KDM4EALDH1A1LMNA
SCHEMBL21263976 0.81 NOTUM (0.52) NOTUMKDM4EALDH1A1LMNAHTT
SCHEMBL2721413 0.80 HPN (0.50) NOTUMPTGDR2P2RY14KDM4EALDH1A1
SCHEMBL17026924 0.78 ASIC3 (0.45) ASIC3PTGDR2KDM4EALDH1A1HRH4
SCHEMBL31710883 0.75 PTGDR2 (0.48) NOTUMPTGDR2P2RY14KDM4EALDH1A1
SCHEMBL21264070 0.74 P2RY14 (0.57) PTGDR2P2RY14KDM4EALDH1A1LMNA
SCHEMBL16236301 0.74 HRH4 (0.57) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL17027093 0.73 CYP19A1 (0.55) ASIC3KDM4EALDH1A1LMNAMAPT
SCHEMBL346670 0.72 NOTUM (1.00) NOTUMKDM4EALDH1A1LMNAL3MBTL1

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 6 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
CN-111868036-A Heterocyclic ring P2Y14Receptor antagonists 美国政府健康与人类服务部 2020-10-30 CN 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 NOTUM 4148/4885ASIC3 464/4885PTGDR2 205/4885
US-20210047293-A1 HETEROCYCLIC P2Y14 RECEPTOR ANTAGONISTS P2RY14, P2RY1, P2RY13 NOTUM 4148/4885ASIC3 464/4885PTGDR2 205/4885

“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.