SCHEMBL21098745

SCHEMBL21098745

CC(C)(S)CC(=O)N/N=C1\CCc2cc(OCCCC(=O)O)cc(F)c21

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 8/20 0.35
FFAR1 O14842 5/20 0.35
PDK2 Q15119 3/20 0.33
MAPT P10636 4/20 0.32
ALDH1A1 P00352 1/20 0.32
BRD4 O60885 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL21052032 1.00 FFAR4 (0.35) FFAR4FFAR1PDK2MAPTALDH1A1
SCHEMBL21052172 0.94 NPC1 (0.36) FFAR4FFAR1MAPTALDH1A1NPC1
SCHEMBL21052171 0.94 NPC1 (0.36) FFAR4FFAR1MAPTALDH1A1NPC1
SCHEMBL21098674 0.94 NPC1 (0.36) FFAR4FFAR1MAPTALDH1A1NPC1
SCHEMBL21052021 0.90 CNR1 (0.34) PDK2MAPTALDH1A1BRD4NPC1
SCHEMBL21052025 0.90 CNR1 (0.34) PDK2MAPTALDH1A1BRD4NPC1
SCHEMBL21052079 0.86 BRD4 (0.33) BRD4SMN1; SMN2
SCHEMBL21098744 0.86 BRD4 (0.33) BRD4SMN1; SMN2
SCHEMBL21098748 0.84 KDM4E (0.36) MAPTSMN1; SMN2
SCHEMBL21052070 0.83 MAPT (0.47) FFAR4FFAR1PDK2MAPTALDH1A1

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-11576981-B2 Acyl hydrazone linkers, methods and uses thereof ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2023-02-14 US disclosed
US-11576981-B2 Acyl hydrazone linkers, methods and uses thereof ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2023-02-14 US disclosed
US-20200397916-A1 ACYL HYDRAZONE LINKERS, METHODS AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2020-12-24 US disclosed
US-20200397916-A1 ACYL HYDRAZONE LINKERS, METHODS AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2020-12-24 US disclosed
WO-2019109188-A1 ACYL HYDRAZONE LINKERS, METHODS AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2019-06-13 WO 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-20200397916-A1 ACYL HYDRAZONE LINKERS, METHODS AND USES THEREOF KAT7, AADAC, HDAC7 FFAR4 2768/4885FFAR1 3835/4885PDK2 675/4885
US-11576981-B2 Acyl hydrazone linkers, methods and uses thereof AADAC, HDAC8, KAT8 FFAR4 2895/4885FFAR1 3745/4885PDK2 690/4885

“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.