SCHEMBL5226673

SCHEMBL5226673

CCc1nn(CC(=O)O)c(CC)c1Oc1cc(C#N)cc(C#N)c1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.47
PTGDR2 Q9Y5Y4 10/20 0.43
PGR P06401 6/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL509696 0.90 PGR (0.48) KCNH2PTGDR2PGR
SCHEMBL4810598 0.89 PTGDR2 (0.45) KCNH2PTGDR2PGRALOX15
SCHEMBL4118214 0.88 PGR (0.52) PTGDR2PGRALOX15
SCHEMBL4959656 0.86 PTGDR2 (0.42) KCNH2PTGDR2PGRALOX15
SCHEMBL1347126 0.85 KCNH2 (0.51) KCNH2PTGDR2PGR
SCHEMBL5231693 0.84 KCNH2 (0.43) KCNH2PTGDR2PGR
Lersivirine SCHEMBL508446 0.83 KCNH2 (0.49) KCNH2PTGDR2PGR
SCHEMBL509429 0.82 KCNH2 (0.44) KCNH2PTGDR2PGR
SCHEMBL508683 0.82 PTGDR2 (0.46) KCNH2PTGDR2ALOX15
SCHEMBL508232 0.81 KCNH2 (0.47) KCNH2PTGDR2PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1377556-B1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LTD (GB) 2007-04-04 EP claimed
EP-1762567-A1 Pyrazole derivatives for treating HIV Pfizer Limited (GB) 2007-03-14 EP claimed
US-20030100554-A1 Pyrazole derivatives JONES LYN HOWARD (GB) 2003-05-29 US claimed

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-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 KCNH2 3503/4885PTGDR2 3728/4885PGR 1045/4885

“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.