SCHEMBL8076624

SCHEMBL8076624

CCC[C@@H](NC(=O)OCc1ccc(C(=O)Nc2ccccc2S)cc1)c1ccc(CC)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 3/20 0.43
TP53 P04637 3/20 0.43
HDAC3 O15379 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
MDM2 Q00987 2/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
PPARA Q07869 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
NCOR1 O75376 1/20 0.40
KDM4E B2RXH2 3/20 0.40
LMNA P02545 1/20 0.40
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
TAOK1 Q7L7X3 1/20 0.39

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
SCHEMBL13111029 0.90 HDAC1 (0.48) TP53HDAC3HDAC1HDAC2TAS1R3
SCHEMBL8089781 0.89 HDAC1 (0.57) HDAC3HDAC1HDAC2NCOR1
SCHEMBL13111046 0.84 TP53 (0.43) MDM4TP53HDAC3HDAC1HDAC2
SCHEMBL13110849 0.83 HDAC1 (0.47) MDM4TP53HDAC3HDAC1HDAC2
SCHEMBL13111050 0.83 MDM4 (0.43) MDM4TP53HDAC3HDAC1HDAC2
SCHEMBL13111047 0.83 MDM4 (0.46) MDM4TP53HDAC3HDAC1HDAC2
SCHEMBL13110857 0.80 KDM4E (0.43) MDM4TP53HDAC3HDAC1HDAC2
SCHEMBL13111073 0.80 TRPV1 (0.41) MDM4TP53HDAC3HDAC1HDAC2
SCHEMBL13110862 0.79 MDM4 (0.49) MDM4TP53HDAC3HDAC1HDAC2
SCHEMBL8077910 0.79 MDM4 (0.49) MDM4TP53HDAC3HDAC1HDAC2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267779-A1 Novel Compounds and Methods of Using Them SYNDAX PHARMACEUTICALS, INC. (US) 2010-10-21 US disclosed
US-20100267779-A1 Novel Compounds and Methods of Using Them SYNDAX PHARMACEUTICALS, INC. (US) 2010-10-21 US disclosed
WO-2009015237-A1 NOVEL COMPOUNDS AND METHODS OF USING THEM SYNDAX PHARMACEUTICALS, INC. (US) 2009-01-29 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 (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-20100267779-A1 Novel Compounds and Methods of Using Them HDAC1, HDAC3, HDAC6 MDM4 4087/4885TP53 1472/4885HDAC3 2/4885

“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.