SCHEMBL1870932

SCHEMBL1870932

O=C(NC1CCN(C(=O)O)CC1)OCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.67
GAA P10253 1/20 0.67
CTSL P07711 1/20 0.64
CTSB P07858 1/20 0.64
CTSK P43235 1/20 0.64
TSHR P16473 1/20 0.64
DPP4 P27487 7/20 0.61
DPP7 Q9UHL4 7/20 0.61
KCNH2 Q12809 4/20 0.61
HSD11B1 P28845 1/20 0.60
EPHX1 P07099 1/20 0.60
TGM2 P21980 2/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
F13A1 P00488 1/20 0.53
TGM1 P22735 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL2551898 0.95 DPP4 (0.62) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL31334638 0.93 ALDH1A1 (0.58) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL13740409 0.92 CTSL (0.68) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL3003867 0.92 CTSL (0.68) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL3667335 0.92 CTSL (0.68) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL854004 0.87 ALDH1A1 (0.62) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL3948461 0.87 ALDH1A1 (0.85) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL3948456 0.87 ALDH1A1 (0.85) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL381922 0.87 ALDH1A1 (0.85) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL13402357 0.86 ALDH1A1 (0.67) ALDH1A1GAACTSLCTSBCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022149057-A1 CDK INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2022-07-14 WO disclosed
CN-107445976-A Antimicrobe compound and its preparation and application 梅琳塔治疗公司 2017-12-08 CN disclosed
CN-107266470-A Antimicrobe compound and its preparation and application 梅琳塔治疗公司 2017-10-20 CN disclosed
WO-2015161011-A1 BENZAMIDE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2015-10-22 WO disclosed
EP-2226322-B1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO CO LTD (JP) 2015-01-21 EP disclosed
US-8927588-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-01-06 US disclosed
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-03-13 US disclosed
US-8536197-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-09-17 US disclosed
US-8476301-B2 Pyrrolidin-3-ylacetic acid derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-07-02 US disclosed
US-20130065925-A1 PYRROLIDIN-3-YLACETIC ACID DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-03-14 US disclosed
CN-102712657-A Antimicrobial compounds and methods of making and using the same RIB X PHARMACEUTICALS INC 2012-10-03 CN disclosed
WO-2011060321-A1 TRANSGLUTAMINASE TG2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI, INC. (US) 2011-05-19 WO disclosed
US-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-12-09 US disclosed
EP-2226322-A1 IMIDAZOLE CARBONYL COMPOUND Daiichi Sankyo Company, Limited (JP) 2010-09-08 EP 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 (3 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-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A ALDH1A1 3596/4885GAA 1609/4885CTSL 1737/4885
US-20130065925-A1 PYRROLIDIN-3-YLACETIC ACID DERIVATIVE CX3CR1, CCR2, CCL2 ALDH1A1 1418/4885GAA 3637/4885CTSL 1463/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A ALDH1A1 1220/4885GAA 1089/4885CTSL 1294/4885

“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.