SCHEMBL30892963

SCHEMBL30892963

O=C(NCC12CCC(c3nc(-c4ccc(C(F)(F)F)nc4)no3)(CC1)CC2)c1cc(F)c(O)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 12/20 0.43
P2RX7 Q99572 3/20 0.37
HDAC4 P56524 1/20 0.36
PTGES O14684 1/20 0.36
CASP3 P42574 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
SCHEMBL27394596 1.00 NR1H4 (0.43) NR1H4P2RX7HDAC4PTGESCASP3
SCHEMBL27213929 1.00 NR1H4 (0.43) NR1H4P2RX7HDAC4PTGESCASP3
SCHEMBL27395306 0.90 NR1H4 (0.43) NR1H4P2RX7HDAC4
SCHEMBL30892950 0.90 NR1H4 (0.43) NR1H4P2RX7HDAC4
SCHEMBL27213935 0.90 NR1H4 (0.43) NR1H4P2RX7HDAC4
SCHEMBL30892914 0.88 NR1H4 (0.43) NR1H4P2RX7HDAC4
SCHEMBL27213856 0.88 NR1H4 (0.43) NR1H4P2RX7HDAC4
SCHEMBL29318684 0.88 NR1H4 (0.43) NR1H4P2RX7HDAC4
SCHEMBL29318686 0.88 NR1H4 (0.43) NR1H4P2RX7HDAC4
SCHEMBL30892936 0.87 HDAC4 (0.35) NR1H4HDAC4

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-20240150334-A1 HSD17B13 INHIBITORS AND/OR DEGRADERS PFIZER INC. (US) 2024-05-09 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 (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-20240238425-A1 HSD17B13 Inhibitors and/or Degraders HSD17B13, HSD17B3, HSD17B1 NR1H4 94/4885P2RX7 4636/4885HDAC4 450/4885
US-20240150334-A1 HSD17B13 INHIBITORS AND/OR DEGRADERS HSD17B1, HSD17B3, HSD17B13 NR1H4 94/4885P2RX7 4666/4885HDAC4 513/4885

“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.