SCHEMBL4257464

SCHEMBL4257464

CC[C@@H](COc1ccc(C(=S)NO)cc1)NC(=O)c1ccc2ccccc2c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 7/20 0.47
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TAS1R3 Q7RTX0 2/20 0.42
TAS1R1 Q7RTX1 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41

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
SCHEMBL442962 0.90 HDAC3 (0.51) PIN1NPC1RAB9ATAS1R3TAS1R1
SCHEMBL4252933 0.89 TAS1R3 (0.48) RAB9ATAS1R3TAS1R1HDAC3HDAC1
SCHEMBL4255500 0.84 HDAC1 (0.47) PIN1RAB9ATAS1R3TAS1R1HDAC3
SCHEMBL4251053 0.84 TAS1R3 (0.62) NPC1RAB9ATAS1R3TAS1R1
SCHEMBL4257549 0.82 PIN1 (0.43) PIN1NPC1RAB9ATAS1R3TAS1R1
SCHEMBL4256642 0.80 HDAC6 (0.46) PIN1TAS1R3TAS1R1HDAC3HDAC1
SCHEMBL4253214 0.80 CNR2 (0.49) NPC1RAB9AHDAC3HDAC1HDAC2
SCHEMBL4248075 0.80 MEN1 (0.48) NPC1RAB9AHDAC1
SCHEMBL443731 0.79 TAS1R3 (0.52) RAB9ATAS1R3TAS1R1HDAC3HDAC1
SCHEMBL4253907 0.78 HDAC8 (0.47) NPC1RAB9AHDAC3HDAC1HDAC2

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-20090023798-A1 THIOHYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2009-01-22 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-20090023798-A1 THIOHYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC8, HDAC3 PIN1 3310/4885NPC1 1960/4885RAB9A 3763/4885

“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.