SCHEMBL4901013

SCHEMBL4901013

CS(=O)(=O)OCc1ccccc1-c1nc2ccccc2s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.51
ALDH1A1 P00352 7/20 0.51
NPC1 O15118 7/20 0.51
RAB9A P51151 7/20 0.51
SMN1; SMN2 Q16637 7/20 0.51
MAPT P10636 5/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
GAA P10253 4/20 0.51
TDP1 Q9NUW8 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
TP53 P04637 4/20 0.51
GLA P06280 3/20 0.46
HCRTR1 O43613 1/20 0.46
ILK Q13418 1/20 0.46
NPSR1 Q6W5P4 2/20 0.45
NPY1R P25929 1/20 0.44
NPY2R P49146 1/20 0.44
POLB P06746 2/20 0.44
S1PR2 O95136 2/20 0.43

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
SCHEMBL4910605 0.83 RAB9A (0.47) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4901005 0.80 TP53 (0.60) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL24182079 0.80 KDM4E (0.63) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL1787762 0.77 CYP1A2 (0.60) KDM4ENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL21699657 0.77 KDM4E (0.58) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4909976 0.75 CA2 (0.42)
SCHEMBL21362250 0.75 KDM4E (0.59) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL21301181 0.74 KDM4E (0.58) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL21779833 0.74 KDM4E (0.63) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL900512 0.74 KDM4E (0.58) KDM4EALDH1A1NPC1RAB9ASMN1; 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-20080299041-A1 HETEROCYCLIC INDENE DERIVATIVES AND THEIR RADIOISOTOPE LABELED COMPOUNDS FOR IMAGING BETA-AMYLOID DEPOSITION SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2008-12-04 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-20080299041-A1 HETEROCYCLIC INDENE DERIVATIVES AND THEIR RADIOISOTOPE LABELED COMPOUNDS FOR IMAGING BETA-AMYLOID DEPOSITION APP, BACE1, PSEN1 KDM4E 3533/4885ALDH1A1 2700/4885NPC1 41/4885

“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.