SCHEMBL4163977

SCHEMBL4163977

O=C(CNC(=O)c1ccccc1)N[C@@H](CCCSCC(=O)C(F)(F)F)C(=O)NCc1ccco1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.46
POLB P06746 3/20 0.44
HPGD P15428 6/20 0.41
MAPT P10636 5/20 0.41
ALDH1A1 P00352 5/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 1/20 0.41
RECQL P46063 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PTPN7 P35236 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TP53 P04637 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
SCHEMBL4606734 0.86 NPY1R (0.46) POLBHPGDMAPTALDH1A1GAA
SCHEMBL4149913 0.83 SMN1; SMN2 (0.43) POLBHPGDMAPTALDH1A1LMNA
SCHEMBL4161122 0.83 NPC1 (0.46) SMN1; SMN2MEN1KMT2ANPC1RAB9A
Trifluoroacetic Acid SCHEMBL4169533 0.82 MAPT (0.41) MLYCDPOLBHPGDMAPTALDH1A1
SCHEMBL3507605 0.81 GPR139 (0.42) GAAMEN1KMT2AL3MBTL1
SCHEMBL4160412 0.80 HTT (0.46) POLBMAPTALDH1A1TSHRMEN1
SCHEMBL4169539 0.77 MAPT (0.41) MLYCDPOLBHPGDMAPTALDH1A1
SCHEMBL4163979 0.76 MLYCD (0.39) MLYCDPOLBHPGDMAPTALDH1A1
SCHEMBL4607677 0.74 HPGD (0.62) MLYCDPOLBHPGDMAPTALDH1A1
SCHEMBL4607673 0.71 ALDH1A1 (0.50) MLYCDPOLBHPGDMAPTALDH1A1

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-20090054448-A1 Amino Acid Derivatives as Histone Deacetylase (HDAC) Inhibitors JONES PHILIP 2009-02-26 US disclosed
EP-1945609-A2 AMINO ACID DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2008-07-23 EP disclosed
WO-2007029036-A2 AMINO ACID DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-03-15 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-20090054448-A1 Amino Acid Derivatives as Histone Deacetylase (HDAC) Inhibitors HDAC5, HDAC1, HDAC11 MLYCD 3266/4885POLB 1368/4885HPGD 1091/4885

“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.