SCHEMBL20022683

SCHEMBL20022683

Cc1ccc(CNC(=O)c2ccccc2S)cc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.68
ALDH1A1 P00352 5/20 0.68
KDM4E B2RXH2 3/20 0.68
HSD17B10 Q99714 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.57
APEX1 P27695 1/20 0.57
KMT2A Q03164 4/20 0.54
TP53 P04637 3/20 0.54
MEN1 O00255 3/20 0.54
GLA P06280 1/20 0.54
MAPK1 P28482 1/20 0.52
MAPK14 Q16539 1/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
LMNA P02545 2/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL8776773 0.87 KMT2A (0.69) HPGDAPEX1KMT2ATP53GLA
SCHEMBL10649706 0.84 ALDH1A1 (0.62) HPGDALDH1A1KDM4ESMN1; SMN2APEX1
SCHEMBL20022705 0.84 APEX1 (0.57) HPGDALDH1A1KDM4ESMN1; SMN2APEX1
SCHEMBL1034235 0.84 HPGD (0.72) HPGDALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL8226871 0.83 APEX1 (0.64) HPGDALDH1A1HSD17B10SMN1; SMN2APEX1
SCHEMBL7823453 0.83 APEX1 (0.84) HPGDALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL15686093 0.81 HPGD (0.68) HPGDALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL28730014 0.81 HPGD (1.00) HPGDALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL15686111 0.81 ALDH1A1 (0.68) HPGDALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL28053365 0.81 HPGD (0.68) HPGDALDH1A1KDM4EHSD17B10SMN1; SMN2

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-20180092908-A1 SMALL MOLECULE OXIDIZERS OF PDI AND THEIR USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2018-04-05 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-20180092908-A1 SMALL MOLECULE OXIDIZERS OF PDI AND THEIR USE PDIA5, PDIA4, PDIA6 HPGD 87/4885ALDH1A1 1489/4885KDM4E 4750/4885

“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.