SCHEMBL29608059

SCHEMBL29608059

COC(=O)/C=C/c1ccccc1NCc1ccc(-c2ccccc2)c(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 12/20 0.44
▸ CD274 Q9NZQ7 12/20 0.44
▸ S1PR1 P21453 3/20 0.42
▸ MAOB P27338 2/20 0.41
▸ RORC P51449 1/20 0.40
▸ FFAR1 O14842 1/20 0.38
▸ PPARG P37231 1/20 0.38
▸ NR1H2 P55055 1/20 0.38
▸ NR1H3 Q13133 1/20 0.38

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
SCHEMBL18071765 1.00 PDCD1 (0.44) PDCD1CD274S1PR1MAOBRORC
SCHEMBL18046838 0.90 PDCD1 (0.44) PDCD1CD274S1PR1MAOBRORC
SCHEMBL18046841 0.90 PDCD1 (0.44) PDCD1CD274S1PR1MAOBRORC
SCHEMBL21236928 0.88 S1PR1 (0.43) PDCD1CD274S1PR1
SCHEMBL18046579 0.87 HDAC4 (0.43) PDCD1CD274S1PR1MAOB
SCHEMBL18046577 0.87 HDAC4 (0.43) PDCD1CD274S1PR1MAOB
SCHEMBL30827716 0.87 HDAC4 (0.43) PDCD1CD274S1PR1MAOB
SCHEMBL18069276 0.85 PDCD1 (0.43) PDCD1CD274FFAR1PPARG
SCHEMBL18047218 0.80 RXFP1 (0.53) MAOBFFAR1
SCHEMBL18047219 0.80 RXFP1 (0.53) MAOBFFAR1

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-11919839-B2 Alpha-cinnamide compounds and compositions as HDAC8 inhibitors VALO HEALTH, INC. (US) 2024-03-05 — — US disclosed
US-20220073452-A1 ALPHA-CINNAMIDE COMPOUNDS AND COMPOSITIONS AS HDAC8 INHIBITORS VALO HEALTH, INC. 2022-03-10 — — 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-20220073452-A1 ALPHA-CINNAMIDE COMPOUNDS AND COMPOSITIONS AS HDAC8 INHIBITORS HDAC8, HDAC7, HDAC1 PDCD1 1035/4885CD274 2446/4885S1PR1 2111/4885
US-11919839-B2 Alpha-cinnamide compounds and compositions as HDAC8 inhibitors HDAC8, HDAC7, HDAC1 PDCD1 1035/4885CD274 2446/4885S1PR1 2111/4885

“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.

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