SCHEMBL29318403

SCHEMBL29318403

COc1ccc(COc2c(F)cc(C(=O)NC[C@]34CC[C@](c5noc(-c6ccnc(N7CCN(C)CC7)n6)n5)(CC3)CC4)c(F)c2F)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 7/20 0.33
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 3/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HRH4 Q9H3N8 2/20 0.32
HRH1 P35367 1/20 0.32
FGFR3 P22607 1/20 0.32
USP2 O75604 1/20 0.31
CYP1A2 P05177 1/20 0.31
GLA P06280 1/20 0.31
TSHR P16473 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HIF1A Q16665 1/20 0.31
CCNE1 P24864 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
SCHEMBL27213705 1.00 PDE5A (0.33) PDE5ACYP3A4CYP2D6CYP2C9L3MBTL1
SCHEMBL30849250 1.00 PDE5A (0.33) PDE5ACYP3A4CYP2D6CYP2C9L3MBTL1
SCHEMBL30849252 0.93 PDE5A (0.32) PDE5ACYP3A4CYP2D6CYP2C9ALDH1A1
SCHEMBL27392871 0.93 PDE5A (0.32) PDE5ACYP3A4CYP2D6CYP2C9ALDH1A1
SCHEMBL27213773 0.93 PDE5A (0.32) PDE5ACYP3A4CYP2D6CYP2C9ALDH1A1
SCHEMBL29318390 0.91 TLR9 (0.37) CA2CA9MAPT
SCHEMBL27213776 0.91 TLR9 (0.37) CA2CA9MAPT
SCHEMBL30995287 0.91 TLR9 (0.37) CA2CA9MAPT
SCHEMBL30849234 0.90 CA2 (0.32) PDE5AALDH1A1CA2CA9KDM4E
SCHEMBL30995325 0.87 TLR9 (0.37) MAPT

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 5 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
US-20240238425-A1 HSD17B13 Inhibitors and/or Degraders PFIZER INC. (US) 2024-07-18 US disclosed
WO-2024127297-A1 3-FLUORO-4-HYDROXYBENZMIDE-CONTAINING INHIBITORS AND/OR DEGRADERS AND USES THEREOF PFIZER INC. (US) 2024-06-20 WO 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 PDE5A 2347/4885CYP3A4 75/4885CYP2D6 114/4885
US-20240150334-A1 HSD17B13 INHIBITORS AND/OR DEGRADERS HSD17B1, HSD17B3, HSD17B13 PDE5A 1142/4885CYP3A4 75/4885CYP2D6 151/4885

“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.