SCHEMBL165561

SCHEMBL165561

COC(=O)c1cc(NCS(C)(=O)=O)cc(C(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 6/20 0.44
LMNA P02545 2/20 0.43
POLB P06746 2/20 0.43
HSD17B10 Q99714 2/20 0.42
MAPT P10636 2/20 0.40
HIF1A Q16665 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
HPGD P15428 2/20 0.39
MEN1 O00255 1/20 0.39
XBP1 P17861 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTPN11 Q06124 1/20 0.39

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
SCHEMBL3960465 0.94 ALDH1A1 (0.50) ALDH1A1KDM4ELMNAPOLBHSD17B10
SCHEMBL4751271 0.86 STAT3 (0.36) ALDH1A1MAPTCA12CA1CA2
SCHEMBL4748774 0.84 ALDH1A1 (0.43) ALDH1A1KDM4ELMNAPOLBHSD17B10
SCHEMBL27620238 0.81 KDM4E (0.53) ALDH1A1KDM4ELMNAPOLBHSD17B10
SCHEMBL4749719 0.79 SMN1; SMN2 (0.48) ALDH1A1KDM4ELMNAPOLBHSD17B10
SCHEMBL3855872 0.79 LMNA (0.42) ALDH1A1KDM4ELMNAPOLBHSD17B10
SCHEMBL4185091 0.79 POLB (0.66) ALDH1A1POLBHSD17B10MAPTHIF1A
SCHEMBL9121827 0.78 CA12 (0.60) ALDH1A1KDM4ELMNAPOLBHSD17B10
SCHEMBL7234945 0.78 CA12 (0.60) ALDH1A1KDM4ELMNAPOLBHSD17B10
SCHEMBL6091535 0.78 HPGD (0.58) ALDH1A1KDM4ELMNAPOLBHSD17B10

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611441-A1 BACE INHIBITORS FOR USE IN THE TREATMENT OF DIABETES F.HOFFMANN-LA ROCHE AG (CH) 2013-07-10 EP disclosed
WO-2012028563-A1 BACE INHIBITORS FOR USE IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-08 WO disclosed
US-20120053200-A1 BACE 2 INHIBITORS HOFFMANN-LA ROCHE INC. 2012-03-01 US disclosed
WO-2009034029-A2 1-SUBSTITUTED 4-HETEROCYCLYLPIPERIDINES FOR USE AS CGRP ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-19 WO disclosed
WO-2008119772-A1 AMIDE DERIVATIVES AS INHIBITORS OF ASPARTYL PROTEASES MEDIVIR AB (SE) 2008-10-09 WO 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-20120053200-A1 BACE 2 INHIBITORS BACE2, BACE1, PSEN2 ALDH1A1 756/4885KDM4E 2480/4885LMNA 3491/4885

“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.