SCHEMBL29317998

SCHEMBL29317998

COc1ccc(COc2c(F)cc(C(=O)NC[C@]34CC[C@](C(=O)OC)(CC3)CC4)c(F)c2F)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 7/20 0.41
P2RY12 Q9H244 1/20 0.41
KCNH2 Q12809 3/20 0.40
SLC6A9 P48067 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
SLC6A5 Q9Y345 3/20 0.36
SMPD1 P17405 1/20 0.36
CACNA1G O43497 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35

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
SCHEMBL27213887 1.00 P2RX7 (0.41) P2RX7P2RY12KCNH2SLC6A9ALDH1A1
SCHEMBL30995348 0.95 P2RX7 (0.40) P2RX7P2RY12KCNH2SLC6A9ALDH1A1
SCHEMBL30995282 0.93 P2RX7 (0.40) P2RX7P2RY12KCNH2SLC6A9ALDH1A1
SCHEMBL27213733 0.93 P2RX7 (0.39) P2RX7P2RY12KCNH2SLC6A9ALDH1A1
SCHEMBL29317993 0.93 P2RX7 (0.39) P2RX7P2RY12KCNH2SLC6A9ALDH1A1
SCHEMBL29318715 0.93 P2RX7 (0.40) P2RX7P2RY12KCNH2SLC6A9ALDH1A1
SCHEMBL27213716 0.92 P2RX7 (0.39) P2RX7P2RY12KCNH2SLC6A9ALDH1A1
SCHEMBL27390891 0.92 P2RX7 (0.39) P2RX7P2RY12KCNH2SLC6A9ALDH1A1
SCHEMBL27213785 0.92 P2RX7 (0.40) P2RX7P2RY12KCNH2SLC6A9ALDH1A1
SCHEMBL27391240 0.92 P2RX7 (0.40) P2RX7P2RY12KCNH2SLC6A9ALDH1A1

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
US-20240238425-A1 HSD17B13 Inhibitors and/or Degraders PFIZER INC. (US) 2024-07-18 US disclosed
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 P2RX7 4636/4885P2RY12 4167/4885KCNH2 4881/4885

“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.