SCHEMBL6296703

SCHEMBL6296703

CCC(C)OC(=O)C(Cc1cccc(C#N)c1)(NC(C)=O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
RECQL P46063 1/20 0.44
ADAMTS4 O75173 1/20 0.38
MMP13 P45452 1/20 0.38
GLA P06280 1/20 0.38
FFAR1 O14842 2/20 0.38
MAOB P27338 1/20 0.37
LMNA P02545 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
FOLH1 Q04609 1/20 0.36
CNR1 P21554 2/20 0.36
MEP1A Q16819 1/20 0.35
MEP1B Q16820 1/20 0.35
MMP8 P22894 1/20 0.35
CNR2 P34972 1/20 0.35
VNN1 O95497 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
GSK3A P49840 1/20 0.34

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
SCHEMBL6751577 0.85 ALDH1A1 (0.62) ALDH1A1RECQLFFAR1LMNAFFAR4
SCHEMBL6191784 0.84 ALDH1A1 (0.46) ALDH1A1RECQLGLAFFAR1LMNA
SCHEMBL6295222 0.84 ALDH1A1 (0.46) ALDH1A1RECQLADAMTS4MMP8
SCHEMBL7975808 0.82 ALDH1A1 (0.47) ALDH1A1RECQLFFAR1LMNAMMP8
SCHEMBL6296702 0.79 ALDH1A1 (0.67) ALDH1A1RECQLFFAR1MEP1AMEP1B
SCHEMBL5365453 0.79 ALDH1A1 (0.42) ALDH1A1RECQLMAOBMMP8
SCHEMBL589165 0.77 ALDH1A1 (0.47) ALDH1A1RECQLADAMTS4MAOBLMNA
SCHEMBL8954953 0.77 FOLH1 (0.43) GLAFFAR1MAOBLMNAFFAR4
SCHEMBL5361416 0.77 ALDH1A1 (0.43) ALDH1A1RECQLMMP13MMP8
SCHEMBL5359741 0.77 ALDH1A1 (0.43) ALDH1A1RECQLLMNAMMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6903128-B2 Non-peptidyl inhibitors of VLA-4 dependent cell binding useful in treating inflammatory, autoimmune, and respiratory diseases PFIZER INC (US) 2005-06-07 US disclosed
US-20040102496-A1 Non-peptidyl inhibitors of VLA-4 dependent cell binding useful in treating inflammatory, autoimmune, and respiratory diseases DUPLANTIER ALLEN J (US) 2004-05-27 US disclosed
US-6668527-B2 Antiinflamamtory agents; autoimmune disease PFIZER INC. 2003-12-30 US disclosed
US-6667331-B2 For example 3-(2-(1-(2-(3-Methoxy-4-(3-o-tolyl-ureido)-phenyl)-acetylamino )-3-methyl-butyl)-4,5-dihydro-oxazol-5-yl)-2-methyl-propionic acid PFIZER INC 2003-12-23 US disclosed
US-20030100585-A1 Non-peptidyl inhibitors of VLA-4 dependent cell binding useful in treating inflammatory, autoimmune, and respiratory diseases DUPLANTIER ALLEN J (US) 2003-05-29 US disclosed
US-20030004196-A1 Non-peptidyl inhibitors of VLA-4 dependent cell binding useful in treating inflammatory, autoimmune, and respiratory diseases DUPLANTIER ALLEN J (US) 2003-01-02 US disclosed
EP-1244656-A1 NON-PEPTIDYL INHIBITORS OF VLA-4 DEPENDENT CELL BINDING USEFUL IN TREATING INFLAMMATORY, AUTOIMMUNE, AND RESPIRATORY DISEASES Pfizer Products Inc. (US) 2002-10-02 EP disclosed
US-20020049236-A1 Non-peptidyl inhibitors of VLA-4 dependent cell binding useful in treating inflammatory, autoimmune, and respiratory diseases PFIZER INC. 2002-04-25 US disclosed
WO-2001051487-A1 NON-PEPTIDYL INHIBITORS OF VLA-4 DEPENDENT CELL BINDING USEFUL IN TREATING INFLAMMATORY, AUTOIMMUNE, AND RESPIRATORY DISEASES PFIZER PRODUCTS INC. (US) 2001-07-19 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 (4 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-20030004196-A1 Non-peptidyl inhibitors of VLA-4 dependent cell binding useful in treating inflammatory, autoimmune, and respiratory diseases VCAM1, SELPLG, CCR10 ALDH1A1 1669/4885RECQL 4305/4885ADAMTS4 2085/4885
US-20040102496-A1 Non-peptidyl inhibitors of VLA-4 dependent cell binding useful in treating inflammatory, autoimmune, and respiratory diseases VCAM1, SELPLG, VSIG8 ALDH1A1 1657/4885RECQL 4392/4885ADAMTS4 2014/4885
US-20020049236-A1 Non-peptidyl inhibitors of VLA-4 dependent cell binding useful in treating inflammatory, autoimmune, and respiratory diseases VCAM1, CCR10, SELPLG ALDH1A1 2019/4885RECQL 4336/4885ADAMTS4 2236/4885
US-20030100585-A1 Non-peptidyl inhibitors of VLA-4 dependent cell binding useful in treating inflammatory, autoimmune, and respiratory diseases VCAM1, SELP, SELPLG ALDH1A1 1255/4885RECQL 4695/4885ADAMTS4 947/4885

“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.