SCHEMBL6295271

SCHEMBL6295271

C=CCOC(=O)NC(C(=O)OCC)C(=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CASP1 P29466 8/20 0.38
▸ MAPT P10636 4/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CACNA1B Q00975 1/20 0.35
▸ APBA1 Q02410 1/20 0.35
▸ MGAM O43451 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ SI P14410 1/20 0.34
▸ MGAM2 Q2M2H8 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
SCHEMBL9849394 0.82 MGAM (0.44) SMN1; SMN2ALDH1A1KMT2AMGAMGAA
SCHEMBL9283634 0.82 CASP1 (0.40) SMN1; SMN2ALDH1A1TSHRCASP1MAPT
SCHEMBL9698253 0.79 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1CASP1KMT2A
SCHEMBL15107083 0.79 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1CASP1TDP1
SCHEMBL1282757 0.77 TSHR (0.45) SMN1; SMN2ALDH1A1TSHRCASP1MAPT
SCHEMBL6993745 0.77 MAPT (0.43) SMN1; SMN2ALDH1A1NPSR1TSHRCASP1
SCHEMBL18455652 0.77 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1NPSR1CASP1MAPT
SCHEMBL8805920 0.77 MGAM (0.42) ALDH1A1KMT2AMGAMGAASI
SCHEMBL29440200 0.76 MEN1 (0.40) SMN1; SMN2ALDH1A1TSHRCASP1MAPT
SCHEMBL11338755 0.76 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1NPSR1TSHRCASP1

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 SMN1; SMN2 3055/4885ALDH1A1 1669/4885NPSR1 365/4885
US-20040102496-A1 Non-peptidyl inhibitors of VLA-4 dependent cell binding useful in treating inflammatory, autoimmune, and respiratory diseases VCAM1, SELPLG, VSIG8 SMN1; SMN2 3060/4885ALDH1A1 1657/4885NPSR1 373/4885
US-20020049236-A1 Non-peptidyl inhibitors of VLA-4 dependent cell binding useful in treating inflammatory, autoimmune, and respiratory diseases VCAM1, CCR10, SELPLG SMN1; SMN2 3273/4885ALDH1A1 2019/4885NPSR1 344/4885
US-20030100585-A1 Non-peptidyl inhibitors of VLA-4 dependent cell binding useful in treating inflammatory, autoimmune, and respiratory diseases VCAM1, SELP, SELPLG SMN1; SMN2 4107/4885ALDH1A1 1255/4885NPSR1 274/4885

“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.

Send feedback