SCHEMBL29323446

SCHEMBL29323446

NC1CCC(CNC(=O)c2cc(F)c(O)c(F)c2)CC1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B13 Q7Z5P4 5/20 0.48
MAPK14 Q16539 5/20 0.47
CYP2C9 P11712 2/20 0.47
MAPK11 Q15759 1/20 0.43
CACNA1I Q9P0X4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MCHR1 Q99705 3/20 0.42
F2 P00734 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
ST14 Q9Y5Y6 1/20 0.41
MLYCD O95822 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA1A P35348 1/20 0.41
HRH1 P35367 1/20 0.41
HTR2B P41595 1/20 0.41

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
SCHEMBL27391631 0.85 TDP1 (0.57) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL3455181 0.84 MAPK14 (0.56) MAPK14CYP2C9MAPK11MCHR1MLYCD
SCHEMBL4262877 0.84 MAPK14 (0.56) MAPK14CYP2C9MAPK11MCHR1MLYCD
SCHEMBL6457795 0.79 KCNH2 (0.60) CACNA1IMCHR1MLYCDHDAC6ADRA2A
SCHEMBL3890983 0.79 KCNH2 (0.60) CACNA1IMCHR1MLYCDHDAC6ADRA2A
SCHEMBL3890990 0.79 KCNH2 (0.60) CACNA1IMCHR1MLYCDHDAC6ADRA2A
SCHEMBL5519161 0.77 KAT6A (0.50) HSD17B13
SCHEMBL5519166 0.77 KAT6A (0.50) HSD17B13
SCHEMBL5526168 0.76 AR (0.45) HSD17B13
SCHEMBL5526173 0.76 AR (0.45) HSD17B13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240238425-A1 HSD17B13 Inhibitors and/or Degraders PFIZER INC. (US) 2024-07-18 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-20240238425-A1 HSD17B13 Inhibitors and/or Degraders HSD17B13, HSD17B3, HSD17B1 HSD17B13 1/4885MAPK14 2314/4885CYP2C9 113/4885

“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.