SCHEMBL6242519

SCHEMBL6242519

O=C(O)Cc1ccc(-c2ccc3ccccc3c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC4 O15439 1/20 0.69
LMNA P02545 1/20 0.69
GAA P10253 1/20 0.69
TSHR P16473 1/20 0.69
PTGS1 P23219 1/20 0.69
HTT P42858 1/20 0.69
NR1H4 Q96RI1 4/20 0.59
SGK1 O00141 1/20 0.57
PTGES O14684 1/20 0.56
ALOX5 P09917 1/20 0.56
AKR1B1 P15121 2/20 0.55
ESR1 P03372 1/20 0.53
ESR2 Q92731 1/20 0.53
RXRA P19793 3/20 0.53
RXRB P28702 3/20 0.53
RXRG P48443 2/20 0.53
FFAR1 O14842 1/20 0.53
S1PR5 Q9H228 2/20 0.52
S1PR4 O95977 1/20 0.52
ACMSD Q8TDX5 1/20 0.51

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
SCHEMBL11458931 0.89 PTGS1 (0.69) ABCC4LMNAGAATSHRPTGS1
2-Naphthylacetic Acid SCHEMBL28641469 0.85 NR1H4 (0.71) ABCC4LMNAGAATSHRPTGS1
2-Naphthylacetic Acid SCHEMBL30493868 0.85 NR1H4 (0.71) ABCC4LMNAGAATSHRPTGS1
2-Naphthylacetic Acid SCHEMBL29366514 0.85 NR1H4 (0.71) ABCC4LMNAGAATSHRPTGS1
2-Naphthylacetic Acid SCHEMBL238445 0.85 NR1H4 (0.71) ABCC4LMNAGAATSHRPTGS1
SCHEMBL28501476 0.84 ESR1 (0.52) ABCC4LMNAGAATSHRPTGS1
2-Naphthylacetic Acid SCHEMBL11437704 0.83 NR1H4 (0.69) ABCC4LMNAGAATSHRPTGS1
2-Naphthylacetic Acid SCHEMBL11045683 0.83 NR1H4 (0.69) ABCC4LMNAGAATSHRPTGS1
2-Naphthylacetic Acid SCHEMBL10453180 0.83 NR1H4 (0.69) ABCC4LMNAGAATSHRPTGS1
SCHEMBL8451511 0.83 FFAR1 (0.71) PTGESALOX5AKR1B1RXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005010202-A2 PHENYL ACETIC ACID DERIVATIVES AS HEPATOCYTE NUCLEAR FACTOR 4α (HNF-4α) MODULATOR COMPOUNDS LIGAND PHARMACUETICALS INCORPORATED (US) 2005-02-03 WO claimed
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
WO-2005010202-A2 PHENYL ACETIC ACID DERIVATIVES AS HEPATOCYTE NUCLEAR FACTOR 4α (HNF-4α) MODULATOR COMPOUNDS LIGAND PHARMACUETICALS INCORPORATED (US) 2005-02-03 WO 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 ABCC4 427/4885LMNA 1222/4885GAA 3846/4885
US-20040102496-A1 Non-peptidyl inhibitors of VLA-4 dependent cell binding useful in treating inflammatory, autoimmune, and respiratory diseases VCAM1, SELPLG, VSIG8 ABCC4 438/4885LMNA 1126/4885GAA 3841/4885
US-20020049236-A1 Non-peptidyl inhibitors of VLA-4 dependent cell binding useful in treating inflammatory, autoimmune, and respiratory diseases VCAM1, CCR10, SELPLG ABCC4 446/4885LMNA 1390/4885GAA 4090/4885
US-20030100585-A1 Non-peptidyl inhibitors of VLA-4 dependent cell binding useful in treating inflammatory, autoimmune, and respiratory diseases VCAM1, SELP, SELPLG ABCC4 209/4885LMNA 1458/4885GAA 2908/4885

“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.