SCHEMBL3769914

SCHEMBL3769914

CCOC(=O)N[C@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.58
ITGB3 P05106 6/20 0.57
ITGAV P06756 1/20 0.57
MME P08473 2/20 0.55
CTSL P07711 2/20 0.55
ACE P12821 2/20 0.55
CPA1 P15085 1/20 0.55
ACE2 Q9BYF1 1/20 0.55
CTSB P07858 1/20 0.54
CTSS P25774 1/20 0.54
CTSK P43235 1/20 0.54
TYR P14679 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
ALDH1A1 P00352 1/20 0.53
ALOX15 P16050 1/20 0.53
ITGA2B P08514 5/20 0.53
NAALAD2 Q9Y3Q0 1/20 0.52
MMP8 P22894 1/20 0.52

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
SCHEMBL996293 1.00 L3MBTL1 (0.58) L3MBTL1ITGB3ITGAVMMECTSL
SCHEMBL996291 1.00 L3MBTL1 (0.58) L3MBTL1ITGB3ITGAVMMECTSL
Hydrochloric Acid SCHEMBL27371193 0.98 L3MBTL1 (0.57) L3MBTL1ITGB3ITGAVMMECTSL
Hydrochloric Acid SCHEMBL28046933 0.98 L3MBTL1 (0.57) L3MBTL1ITGB3ITGAVMMECTSL
SCHEMBL10964365 0.91 MMP8 (0.56) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL7291638 0.89 ITGB3 (0.54) L3MBTL1ITGB3ITGAVCTSLCTSB
SCHEMBL8244008 0.89 ALDH1A1 (0.59) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL7460396 0.89 POLB (0.64) L3MBTL1ALDH1A1ALOX15
SCHEMBL10801015 0.88 CTSL (0.54) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL15219608 0.88 CTSL (0.52) CTSLCTSBCTSSCTSKALDH1A1

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-105541633-B open-chain chiral crown ether containing ent-Bayesian skeleton and preparation and application thereof 浙江工业大学 2017-05-17 CN disclosed
EP-2655322-A1 PROCESS FOR PREPARING CHIRAL AMINO ACIDS Diverchim (FR) 2013-10-30 EP disclosed
WO-2012085474-A1 PROCESS FOR PREPARING CHIRAL AMINO ACIDS DIVERCHIM (FR) 2012-06-28 WO disclosed
US-20100324058-A1 THROMBIN FUNCTION COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS BASED ON THEM OBSCHESTVO S ORGANICHENNOI OTVETSTTVENNOCTIYOU "BIONIKA" (RU) 2010-12-23 US disclosed
US-20060111553-A1 Novel thrombin inhibitors, the preparation and use thereof ABBOTT GMBH & CO. KG (DE) 2006-05-25 US disclosed
EP-0773955-B1 NEW THROMBIN INHIBITORS, THEIR PREPARATION AND USE BASF AG (DE) 2003-04-16 EP disclosed
US-20030004308-A1 Novel thrombin inhibitors, the preparation and use thereof BOHM HANS-JOACHIM (DE) 2003-01-02 US disclosed
US-6455671-B1 COMPOUND FOR USE IN THE TREATMENT OF THROMBOSIS ABBOTT LABORATORIES 2002-09-24 US disclosed
EP-0922054-B1 ANTICOAGULANT PEPTIDYL-ARGININE ALDEHYDE DERIVATIVES GYOGYSZERKUTATO INTEZET (HU) 2002-08-14 EP disclosed
US-6235707-B1 Anticoagulant peptidyl-arginine aldehyde derivatives GYOGYSZERKUTATO INTEZET KFT. (HU) 2001-05-22 US disclosed
EP-0922054-A1 ANTICOAGULANT PEPTIDYL-ARGININE ALDEHYDE DERIVATIVES GYOGYSZERKUTATO INTEZET KFT. (HU) 1999-06-16 EP disclosed
WO-1997046576-A1 ANTICOAGULANT PEPTIDYL-ARGININE ALDEHYDE DERIVATIVES Gyógyszerkutató Intézet Kft. (HU) 1997-12-11 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 (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-20060111553-A1 Novel thrombin inhibitors, the preparation and use thereof TFPI, F2, TFPI2 L3MBTL1 3326/4885ITGB3 692/4885ITGAV 772/4885
US-20100324058-A1 THROMBIN FUNCTION COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS BASED ON THEM F2, PLAT, SERPINC1 L3MBTL1 4702/4885ITGB3 399/4885ITGAV 723/4885
US-20030004308-A1 Novel thrombin inhibitors, the preparation and use thereof TFPI, SERPINC1, F2 L3MBTL1 2943/4885ITGB3 741/4885ITGAV 896/4885

“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.