SCHEMBL4174445

SCHEMBL4174445

O=C(Cc1ccsc1)N[C@@H](CCCSCC(=O)C(F)(F)F)C(=O)Nc1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.42
HDAC2 Q92769 3/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
MC4R P32245 1/20 0.40
MC5R P33032 1/20 0.40
MC3R P41968 1/20 0.40
MC1R Q01726 1/20 0.40
ALDH1A1 P00352 3/20 0.40
POLB P06746 2/20 0.40
TSHR P16473 2/20 0.40
USP2 O75604 1/20 0.40

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
SCHEMBL4166185 0.82 NPC1 (0.42) HDAC4ALDH1A1POLBTSHRHSD17B10
SCHEMBL4606348 0.81 POLB (0.39) HDAC1HDAC2POLBMEN1KMT2A
SCHEMBL4605724 0.81 CES1 (0.46) HDAC1HDAC2CES1
Trifluoroacetic Acid SCHEMBL4163740 0.80 MCHR1 (0.41) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL4174440 0.78 SHMT1 (0.41) HDAC1HDAC2ALDH1A1MCHR1NPC1
Trifluoroacetic Acid SCHEMBL4169498 0.78 HDAC4 (0.39) HDAC1HDAC2HDAC3HDAC4HDAC7
Trifluoroacetic Acid SCHEMBL4160622 0.78 PADI4 (0.39) HDAC1HDAC2POLBCES1
SCHEMBL4174424 0.78 SIGMAR1 (0.38) HDAC1HDAC2HDAC4HDAC6ALDH1A1
SCHEMBL4159925 0.78 KMT2A (0.45) ALDH1A1TSHRUSP2HSD17B10MAPT
Trifluoroacetic Acid SCHEMBL4161039 0.74 SIGMAR1 (0.57)

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 HDAC1 2/4885HDAC2 7/4885HDAC3 11/4885

“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.