SCHEMBL4251111

SCHEMBL4251111

CC[C@@H](COc1cc(C(=S)NO)on1)NC(=O)c1cc2ccccc2o1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 6/20 0.59
TAS1R1 Q7RTX1 6/20 0.59
ALDH1A1 P00352 3/20 0.46
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
LMNA P02545 1/20 0.43
THRB P10828 1/20 0.43
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
SMPD1 P17405 1/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL445605 0.93 TAS1R3 (0.64) TAS1R3TAS1R1ALDH1A1NPC1RAB9A
SCHEMBL4257549 0.84 PIN1 (0.43) TAS1R3TAS1R1NPC1RAB9ASMPD1
SCHEMBL4254240 0.84 SMPD1 (0.40) TAS1R3TAS1R1ALDH1A1NPC1RAB9A
SCHEMBL4251053 0.82 TAS1R3 (0.62) TAS1R3TAS1R1ALDH1A1NPC1RAB9A
SCHEMBL4254244 0.80 SMN1; SMN2 (0.60) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL4251260 0.79 HPGD (0.56) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL4247914 0.78 ALDH1A1 (0.45) TAS1R3TAS1R1ALDH1A1NPC1RAB9A
SCHEMBL445824 0.77 TAS1R3 (0.66) TAS1R3TAS1R1ALDH1A1NPC1RAB9A
SCHEMBL4199720 0.76 TAS1R3 (1.00) TAS1R3TAS1R1ALDH1A1NPC1RAB9A
SCHEMBL443684 0.76 SMPD1 (0.48) TAS1R3TAS1R1NPC1RAB9ASMPD1

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 3753/4885ALDH1A1 601/4885

“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.