SCHEMBL4248075

SCHEMBL4248075

CC[C@@H](COc1ccc(C(=S)NO)cc1)NC(=O)c1cccs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
NLRP3 Q96P20 1/20 0.48
RAB9A P51151 4/20 0.46
NPC1 O15118 2/20 0.46
HPGD P15428 2/20 0.46
TSHR P16473 1/20 0.46
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
HDAC1 Q13547 1/20 0.42
HSPA5 P11021 1/20 0.41
MAPT P10636 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 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
SCHEMBL445575 0.90 MEN1 (0.52) MEN1KMT2ANLRP3RAB9ANPC1
SCHEMBL4252933 0.83 TAS1R3 (0.48) MEN1KMT2ARAB9AHTTHDAC1
SCHEMBL4255500 0.81 HDAC1 (0.47) RAB9AHDAC1
SCHEMBL4257464 0.80 PIN1 (0.47) RAB9ANPC1HDAC1
SCHEMBL4253214 0.77 CNR2 (0.49) MEN1KMT2ARAB9ANPC1HPGD
SCHEMBL4251053 0.77 TAS1R3 (0.62) MEN1KMT2ARAB9ANPC1HPGD
SCHEMBL4248660 0.77 MASP2 (0.46) MEN1KMT2ARAB9ANPC1HTT
SCHEMBL4248121 0.77 LMNA (0.65) MEN1KMT2ANLRP3RAB9ANPC1
SCHEMBL30433446 0.76 RAB9A (0.60) MEN1KMT2ARAB9ANPC1HPGD
SCHEMBL4253907 0.75 HDAC8 (0.47) MEN1KMT2ARAB9ANPC1HDAC1

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 MEN1 4531/4885KMT2A 94/4885NLRP3 2914/4885

“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.