SCHEMBL4956490

SCHEMBL4956490

C=CC(=O)N1C(=O)OC[C@@H]1c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RIPK1 Q13546 2/20 0.44
GSK3B P49841 1/20 0.40
ACHE P22303 1/20 0.38
NAAA Q02083 1/20 0.37
AVPR1A P37288 1/20 0.37
IDH1 O75874 5/20 0.37
GLS O94925 2/20 0.36
TNKS O95271 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
IL6ST P40189 1/20 0.36

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
SCHEMBL1119976 1.00 ALDH1A1 (0.45) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL1119979 1.00 ALDH1A1 (0.45) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL21272966 0.83 ALDH1A1 (0.41) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL21272969 0.83 ALDH1A1 (0.41) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL23298241 0.83 ALDH1A1 (0.43) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL874440 0.83 ALDH1A1 (0.43) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL28838633 0.83 ALDH1A1 (0.43) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL5166307 0.83 ALDH1A1 (0.43) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL874439 0.83 ALDH1A1 (0.43) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL874438 0.83 ALDH1A1 (0.43) ALDH1A1GAAHTTNPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105541742-A Preparation method of ezetimibe intermediate JIANGSU HANSYN PHARMACEUTICAL CO LTD 2016-05-04 CN disclosed
US-7425537-B2 SH2 domain binding inhibitors THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2008-09-16 US disclosed
US-7425537-B2 SH2 domain binding inhibitors THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2008-09-16 US disclosed
US-7425537-B2 SH2 domain binding inhibitors THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2008-09-16 US disclosed
US-7390826-B2 Inhibitors of animal cell motility and growth THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2008-06-24 US disclosed
US-7390826-B2 Inhibitors of animal cell motility and growth THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2008-06-24 US disclosed
US-20060167222-A1 Sh2 domain binding inhibitors GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2006-07-27 US disclosed
US-6977241-B2 SH2 domain binding inhibitors THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 2005-12-20 US disclosed
US-20040048788-A1 Sh2 domain binding inhibitors DEPARTMENT OF HEALTH AND HUMAN SERVICES, UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, OF THE 2004-03-11 US disclosed
EP-1383792-A2 SH2 DOMAIN BINDING INHIBITORS THE GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2004-01-28 EP disclosed
WO-2004003005-A2 SH2 DOMAIN BINDING INHIBITORS THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2004-01-08 WO disclosed
WO-2002016407-A2 SH2 DOMAIN BINDING INHIBITORS THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2002-02-28 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 (2 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-20040048788-A1 Sh2 domain binding inhibitors ACP1, PHLPP1, SORBS1 ALDH1A1 4032/4885GAA 3015/4885HTT 731/4885
US-20060167222-A1 Sh2 domain binding inhibitors ACP1, HCLS1, LASP1 ALDH1A1 4061/4885GAA 4057/4885HTT 2786/4885

“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.