SCHEMBL18046838

SCHEMBL18046838

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 9/20 0.44
▸ CD274 Q9NZQ7 9/20 0.44
▸ S1PR1 P21453 2/20 0.42
▸ RORC P51449 1/20 0.40
▸ LTB4R Q15722 1/20 0.40
▸ LTB4R2 Q9NPC1 1/20 0.40
▸ AKR1C3 P42330 2/20 0.39
▸ AKR1C2 P52895 2/20 0.39
▸ MAOB P27338 1/20 0.39
▸ FFAR1 O14842 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ PTGER1 P34995 1/20 0.38
▸ PTGER4 P35408 1/20 0.38
▸ PTGER3 P43115 1/20 0.38
▸ PTGER2 P43116 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
SCHEMBL18046841 1.00 PDCD1 (0.44) PDCD1CD274S1PR1RORCLTB4R
SCHEMBL18046579 0.91 HDAC4 (0.43) PDCD1CD274S1PR1MAOB
SCHEMBL30827716 0.91 HDAC4 (0.43) PDCD1CD274S1PR1MAOB
SCHEMBL18046577 0.91 HDAC4 (0.43) PDCD1CD274S1PR1MAOB
SCHEMBL18071765 0.90 PDCD1 (0.44) PDCD1CD274S1PR1RORCMAOB
SCHEMBL29608059 0.90 PDCD1 (0.44) PDCD1CD274S1PR1RORCMAOB
SCHEMBL28191706 0.80 RXFP1 (0.56) FFAR1
SCHEMBL21236928 0.79 S1PR1 (0.43) PDCD1CD274S1PR1
SCHEMBL28192394 0.74 S1PR1 (0.47) S1PR1RORCMAOBFFAR1
SCHEMBL18069274 0.74 HDAC8 (0.47) PDCD1CD274

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 14 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
EP-3932914-A1 ALPHA-CINNAMIDE COMPOUNDS AND COMPOSITIONS AS HDAC8 INHIBITORS Valo Health, Inc. (US) 2022-01-05 — — EP disclosed
US-10988441-B2 Alpha-cinnamide compounds and compositions as HDAC8 inhibitors VALO EARLY DISCOVERY, INC. (US) 2021-04-27 — — US disclosed
US-20200331847-A1 ALPHA-CINNAMIDE COMPOUNDS AND COMPOSITIONS AS HDAC8 INHIBITORS VALO HEALTH, INC. 2020-10-22 — — US disclosed
US-10508077-B2 Alpha-cinnamide compounds and compositions as HDAC8 inhibitors FORMA THERAPEUTICS, INC. (US) 2019-12-17 — — US disclosed
US-20190241506-A1 ALPHA-CINNAMIDE COMPOUNDS AND COMPOSITIONS AS HDAC8 INHIBITORS VALO HEALTH, INC. 2019-08-08 — — US disclosed
US-10266487-B2 Alpha-cinnamide compounds and compositions as HDAC8 inhibitors FORMA THERAPEUTICS, INC. (US) 2019-04-23 — — US disclosed
US-20180297939-A1 ALPHA-CINNAMIDE COMPOUNDS AND COMPOSITIONS AS HDAC8 INHIBITORS Valo Health, LLC 2018-10-18 — — US disclosed
US-20180044282-A1 ALPHA-CINNAMIDE COMPOUNDS AND COMPOSITIONS AS HDAC8 INHIBITORS VALO EARLY DISCOVERY, INC. 2018-02-15 — — US disclosed
EP-3268358-A1 ALPHA-CINNAMIDE COMPOUNDS AND COMPOSITIONS AS HDAC8 INHIBITORS Forma Therapeutics, Inc. (US) 2018-01-17 — — EP disclosed
US-9745253-B2 Alpha-cinnamide compounds and compositions as HDAC8 inhibitors FORMA THERAPEUTICS, INC. (US) 2017-08-29 — — US disclosed
WO-2016149099-A1 ALPHA-CINNAMIDE COMPOUNDS AND COMPOSITIONS AS HDAC8 INHIBITORS FORMA THERAPEUTICS, INC. (US) 2016-09-22 — — WO disclosed
US-20160264518-A1 ALPHA-CINNAMIDE COMPOUNDS AND COMPOSITIONS AS HDAC8 INHIBITORS Valo Health, LLC 2016-09-15 — — 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 (10 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-20180044282-A1 ALPHA-CINNAMIDE COMPOUNDS AND COMPOSITIONS AS HDAC8 INHIBITORS HDAC8, HDAC7, HDAC1 PDCD1 1035/4885CD274 2446/4885S1PR1 2111/4885
US-20220073452-A1 ALPHA-CINNAMIDE COMPOUNDS AND COMPOSITIONS AS HDAC8 INHIBITORS HDAC8, HDAC7, HDAC1 PDCD1 1035/4885CD274 2446/4885S1PR1 2111/4885
US-20200331847-A1 ALPHA-CINNAMIDE COMPOUNDS AND COMPOSITIONS AS HDAC8 INHIBITORS HDAC8, HDAC7, HDAC1 PDCD1 1035/4885CD274 2446/4885S1PR1 2111/4885
US-10988441-B2 Alpha-cinnamide compounds and compositions as HDAC8 inhibitors HDAC8, HDAC7, HDAC1 PDCD1 1035/4885CD274 2446/4885S1PR1 2111/4885
US-20160264518-A1 ALPHA-CINNAMIDE COMPOUNDS AND COMPOSITIONS AS HDAC8 INHIBITORS HDAC8, HDAC7, HDAC1 PDCD1 1035/4885CD274 2446/4885S1PR1 2111/4885
US-10508077-B2 Alpha-cinnamide compounds and compositions as HDAC8 inhibitors HDAC8, HDAC7, HDAC1 PDCD1 1035/4885CD274 2446/4885S1PR1 2111/4885
US-10266487-B2 Alpha-cinnamide compounds and compositions as HDAC8 inhibitors HDAC8, HDAC7, HDAC1 PDCD1 1035/4885CD274 2446/4885S1PR1 2111/4885
US-20190241506-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
US-20180297939-A1 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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