SCHEMBL8077910

SCHEMBL8077910

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 3/20 0.49
TP53 P04637 3/20 0.49
HDAC1 Q13547 5/20 0.47
HDAC2 Q92769 5/20 0.47
HDAC3 O15379 4/20 0.47
MDM2 Q00987 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 1/20 0.45
ATM Q13315 1/20 0.45
NCOR2 Q9Y618 3/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
PTGER4 P35408 2/20 0.42
TACR1 P25103 1/20 0.42

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
SCHEMBL13110862 1.00 MDM4 (0.49) MDM4TP53HDAC1HDAC2HDAC3
SCHEMBL13111008 0.90 HDAC1 (0.50) TP53HDAC1HDAC2HDAC3KMT2A
SCHEMBL13110823 0.90 HDAC1 (0.50) TP53HDAC1HDAC2HDAC3KMT2A
SCHEMBL13110983 0.89 HDAC1 (0.62) HDAC1HDAC2HDAC3NCOR2CYP3A4
SCHEMBL13110770 0.89 HDAC1 (0.62) HDAC1HDAC2HDAC3NCOR2CYP3A4
SCHEMBL13111051 0.88 RAB9A (0.52) HDAC1HDAC2HDAC3KMT2AALDH1A1
SCHEMBL2851564 0.84 ATM (0.60) KMT2AALDH1A1ATMCYP3A4TSHR
SCHEMBL2851560 0.84 ATM (0.60) KMT2AALDH1A1ATMCYP3A4TSHR
SCHEMBL4444864 0.84 ATM (0.60) KMT2AALDH1A1ATMCYP3A4TSHR
Hydrochloric Acid SCHEMBL2853610 0.83 ATM (0.59) KMT2AALDH1A1ATMCYP3A4TSHR

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 1472/4885HDAC1 1/4885

“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.