SCHEMBL4171679

SCHEMBL4171679

CS(=O)(=O)CC(=O)NC(=O)[C@H](CCCSCC(=O)C(F)(F)F)Nc1cccc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.39
USP2 O75604 1/20 0.39
MAPT P10636 1/20 0.37
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
CES1 P23141 3/20 0.35
METAP2 P50579 2/20 0.35
METAP1 P53582 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
NCOR2 Q9Y618 1/20 0.34

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
SCHEMBL4606371 0.85 HDAC1 (0.38) ALDH1A1MAPTHDAC1HDAC2CES1
SCHEMBL4160768 0.76 HPGD (0.40) ALDH1A1TSHRHDAC1HDAC2CES1
Trifluoroacetic Acid SCHEMBL4162623 0.75 SIRT2 (0.38) HDAC1HDAC2CES1HDAC3HDAC4
SCHEMBL4160861 0.74 CES1 (0.43) HDAC1HDAC2CES1FAAH
SCHEMBL4164026 0.71 ALDH1A1 (0.54) ALDH1A1TSHRMAPTHDAC4MEN1
SCHEMBL4606757 0.71 HDAC1 (0.41) ALDH1A1MAPTHDAC1HDAC2CES1
SCHEMBL4174445 0.70 HDAC1 (0.42) HSD17B10ALDH1A1TSHRUSP2MAPT
SCHEMBL4160855 0.70 CES1 (0.43) HDAC1HDAC2CES1FAAH
Trifluoroacetic Acid SCHEMBL4167970 0.68 CES1 (0.30) CES1
SCHEMBL4152045 0.67 ALDH1A1 (0.41) ALDH1A1TSHRMAPTHDAC1HDAC2

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 1 patent. 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

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 HSD17B10 291/4885ALDH1A1 320/4885TSHR 1377/4885

“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.