SCHEMBL4251053

SCHEMBL4251053

CC[C@@H](COc1ccc(C(=S)NO)cc1)NC(=O)c1cc2ccccc2o1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 7/20 0.62
TAS1R1 Q7RTX1 7/20 0.62
LMNA P02545 4/20 0.52
GAA P10253 3/20 0.52
MAPK1 P28482 1/20 0.52
POLB P06746 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 3/20 0.48
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
THRB P10828 1/20 0.45

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
SCHEMBL445824 0.91 TAS1R3 (0.66) TAS1R3TAS1R1LMNAGAAMAPK1
SCHEMBL4248582 0.88 TAS1R3 (0.49) TAS1R3TAS1R1LMNAGAAMAPK1
SCHEMBL4250954 0.88 TAS1R3 (0.66) TAS1R3TAS1R1
SCHEMBL4247781 0.87 GAA (0.51) TAS1R3TAS1R1LMNAGAAMAPK1
SCHEMBL4247496 0.86 TAS1R3 (0.57) TAS1R3TAS1R1LMNAGAAALDH1A1
SCHEMBL4252307 0.86 GAA (0.47) TAS1R3TAS1R1LMNAGAAMAPK1
SCHEMBL4248578 0.85 GAA (0.49) TAS1R3TAS1R1LMNAGAAMAPK1
SCHEMBL4257464 0.84 PIN1 (0.47) TAS1R3TAS1R1NPC1RAB9A
SCHEMBL4251111 0.82 TAS1R3 (0.59) TAS1R3TAS1R1LMNAPOLBKMT2A
SCHEMBL4252461 0.82 TAS1R3 (0.50) TAS1R3TAS1R1LMNAGAAMAPK1

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 TAS1R3 3722/4885TAS1R1 3753/4885LMNA 2081/4885

“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.