SCHEMBL29318737

SCHEMBL29318737

CC(C)(C)OC(=O)NC[C@]12CC[C@](C(N)=S)(CC1)CC2

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
HCRTR2 O43614 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
GAA P10253 2/20 0.35
EPHX1 P07099 1/20 0.34
DRD2 P14416 1/20 0.33
CTSL P07711 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL30970122 1.00 CA12 (0.40) CA12CA1CA2CA9MAOA
SCHEMBL8252987 0.88 MAOA (0.40) CA12CA1CA2CA9MAOA
SCHEMBL29317969 0.88 MAOA (0.40) CA12CA1CA2CA9MAOA
SCHEMBL31432022 0.84 HCRTR2 (0.41) CA12CA1CA2CA9MAOA
SCHEMBL27343898 0.84 HCRTR2 (0.41) CA12CA1CA2CA9MAOA
SCHEMBL29318799 0.83 HCRTR2 (0.40) CA12CA1CA2CA9MAOA
SCHEMBL6798730 0.83 MEN1 (0.41) CA12CA1CA2CA9MAOA
SCHEMBL27343894 0.83 MEN1 (0.41) CA12CA1CA2CA9MAOA
SCHEMBL10163707 0.83 HCRTR2 (0.40) CA12CA1CA2CA9MAOA
SCHEMBL30970108 0.82 HCRTR2 (0.38) CA12CA1CA2CA9MAOA

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 CA12 2425/4885CA1 3878/4885CA2 3939/4885

“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.