SCHEMBL4253902

SCHEMBL4253902

O=C(/C=C/c1ccccc1)N[C@H](COc1ccc(C(=S)NO)cc1)CSCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
PPARG P37231 2/20 0.43
HDAC3 O15379 11/20 0.43
HDAC4 P56524 11/20 0.43
HDAC1 Q13547 11/20 0.43
HDAC7 Q8WUI4 11/20 0.43
HDAC2 Q92769 11/20 0.43
HDAC10 Q969S8 11/20 0.43
HDAC11 Q96DB2 11/20 0.43
HDAC8 Q9BY41 11/20 0.43
HDAC6 Q9UBN7 11/20 0.43
HDAC9 Q9UKV0 11/20 0.43
HDAC5 Q9UQL6 11/20 0.43
GAA P10253 1/20 0.40
RECQL P46063 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
MAPK1 P28482 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
SCHEMBL443086 0.90 HDAC1 (0.47) ALDH1A1HPGDPPARGHDAC3HDAC4
SCHEMBL443087 0.90 HDAC1 (0.47) ALDH1A1HPGDPPARGHDAC3HDAC4
SCHEMBL4254174 0.87 PPARG (0.52) ALDH1A1PPARGHDAC3HDAC4HDAC1
SCHEMBL4255571 0.87 PPARG (0.52) ALDH1A1PPARGHDAC3HDAC4HDAC1
SCHEMBL4251079 0.85 PPARG (0.46) PPARGHDAC3HDAC4HDAC1HDAC7
SCHEMBL4250725 0.84 TAS1R3 (0.55) PPARGHDAC3HDAC4HDAC1HDAC7
SCHEMBL4251095 0.84 TAS1R3 (0.55) PPARGHDAC3HDAC4HDAC1HDAC7
SCHEMBL4251108 0.82 TAS1R3 (0.59) ALDH1A1PPARGHDAC3HDAC4HDAC1
SCHEMBL4255209 0.82 TAS1R3 (0.59) ALDH1A1PPARGHDAC3HDAC4HDAC1
SCHEMBL4251049 0.82 PPARG (0.43) ALDH1A1PPARGHDAC3HDAC4HDAC1

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 ALDH1A1 601/4885HPGD 351/4885PPARG 513/4885

“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.