SCHEMBL4247914

SCHEMBL4247914

C[C@H](CNC(=O)c1cc2ccccc2o1)Oc1cc(C(=S)NO)on1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
TP53 P04637 2/20 0.44
HPGD P15428 2/20 0.44
MAPT P10636 2/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
TAS1R3 Q7RTX0 3/20 0.43
TAS1R1 Q7RTX1 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
CYP24A1 Q07973 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL444842 0.91 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2TP53HPGDMAPT
SCHEMBL4250980 0.84 HDAC1 (0.45) SMN1; SMN2TP53HPGDMAPTHDAC1
SCHEMBL4254292 0.83 HDAC8 (0.42) ALDH1A1SMN1; SMN2HPGDMAPTHDAC1
SCHEMBL4255202 0.82 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2TP53HPGDMAPT
SCHEMBL4254244 0.82 SMN1; SMN2 (0.60) ALDH1A1SMN1; SMN2TP53HPGDMAPT
SCHEMBL4251260 0.81 HPGD (0.56) ALDH1A1SMN1; SMN2TP53HPGDHDAC1
SCHEMBL4251111 0.78 TAS1R3 (0.59) ALDH1A1SMN1; SMN2MAPTMEN1NPC1
SCHEMBL444395 0.76 SMN1; SMN2 (0.56) ALDH1A1SMN1; SMN2TP53HPGDMAPT
SCHEMBL444394 0.76 SMN1; SMN2 (0.56) ALDH1A1SMN1; SMN2TP53HPGDMAPT
SCHEMBL443591 0.75 HDAC1 (0.49) SMN1; SMN2TP53HPGDMAPTHDAC1

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 601/4885SMN1; SMN2 3469/4885TP53 2008/4885

“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.