SCHEMBL5230404

SCHEMBL5230404

CCc1nn(CCO)c(CC)c1Oc1ccc(F)c(C#N)c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.40
PLA2G7 Q13093 9/20 0.35
EPAS1 Q99814 1/20 0.34
SLC22A12 Q96S37 2/20 0.33
BRAF P15056 1/20 0.32
CHRNA7 P36544 1/20 0.32
AR P10275 2/20 0.31
SCN9A Q15858 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
SCHEMBL4114683 0.92 PGR (0.40) PGRSLC22A12ARSCN9A
SCHEMBL4112493 0.90 PGR (0.42) PGRSLC22A12ARSCN9A
SCHEMBL4109666 0.86 PGR (0.41) PGRSLC22A12ARSCN9A
SCHEMBL4107983 0.85 AR (0.42) PGRSLC22A12AR
SCHEMBL5230979 0.84 KCNH2 (0.36) PGR
SCHEMBL4107988 0.84 AR (0.44) PGRSLC22A12ARSCN9A
SCHEMBL4097849 0.82 PGR (0.59) PGR
SCHEMBL508453 0.81 PGR (0.44) PGREPAS1
Lersivirine SCHEMBL508446 0.80 KCNH2 (0.49) PGR
SCHEMBL2717095 0.80 KCNH2 (0.42) PGREPAS1

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 PGR 1045/4885PLA2G7 2852/4885EPAS1 1563/4885

“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.