SCHEMBL6037489

SCHEMBL6037489

[NH]C(=O)C(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.56
CYP1A2 P05177 1/20 0.44
HTT P42858 2/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 2/20 0.42
CYP2D6 P10635 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
KCNN4 O15554 1/20 0.40
CYP2C19 P33261 1/20 0.40
CHRM3 P20309 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39

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
Benzylic Acid SCHEMBL7066 0.84 CYP2C9 (0.74) CYP2C9CYP1A2HTTLMNAL3MBTL1
Benzylic Acid SCHEMBL9568239 0.82 CYP2C9 (0.71) CYP2C9CYP1A2HTTLMNAL3MBTL1
Benzylic Acid SCHEMBL868225 0.82 CYP2C9 (0.71) CYP2C9CYP1A2HTTLMNAL3MBTL1
Benzylic Acid SCHEMBL2810363 0.82 CYP2C9 (0.71) CYP2C9CYP1A2HTTLMNAL3MBTL1
Benzylic Acid SCHEMBL5705762 0.82 CYP2C9 (0.71) CYP2C9CYP1A2HTTLMNAL3MBTL1
Benzylic Acid SCHEMBL1680669 0.82 CYP2C9 (0.71) CYP2C9CYP1A2HTTLMNAL3MBTL1
Benzylic Acid SCHEMBL11049826 0.82 CYP2C9 (0.71) CYP2C9CYP1A2HTTLMNAL3MBTL1
Benzylic Acid SCHEMBL1681667 0.82 CYP2C9 (0.71) CYP2C9CYP1A2HTTLMNAL3MBTL1
Benzylic Acid SCHEMBL20957595 0.82 CYP2C9 (0.71) CYP2C9CYP1A2HTTLMNAL3MBTL1
Benzylic Acid SCHEMBL9181980 0.82 CYP2C9 (0.71) CYP2C9CYP1A2HTTLMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060166866-A1 Cell adhesion inhibitors BIOGEN, INC., A MASSACHUSETTS CORPORATION 2006-07-27 US disclosed
US-6630512-B2 Antiinflammatory agents; autoimmune disease BIOGEN, INC. 2003-10-07 US disclosed
US-20030018016-A1 Cell adhesion inhibitors BIOGEN IDEC MA, INC. 2003-01-23 US disclosed
EP-0805796-B1 CELL ADHESION INHIBITORS BIOGEN INC (US) 2002-12-11 EP disclosed
US-6432923-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES NOVARTIS AG (CH) 2002-08-13 US disclosed
US-6407065-B1 PREVENT CELL ADHESION; ANTIINFLAMMTORY AGENTS, RESPIRATORY SYSTEM DISORDERS NOVARTIS AG (CH) 2002-06-18 US disclosed
US-6376538-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES BIOGEN, INC. 2002-04-23 US disclosed
US-6365619-B1 CYCLIC OLIGOPEPTIDE VCAM-1 INHIBITOR; (S)-.BETA.-(3-METHOXYPROPYL) ((4-((2-METHYLPHENYLAMINOCARBONYLAMINO)-PHENYL) ACETYL)AMINO)ACETYL-AMINO-3,4-DIMETHOXY-BENZENEPROPANOIC ACID NOVARTIS AG (CH) 2002-04-02 US disclosed
EP-1142867-A2 Cell adhesion inhibitors BIOGEN, INC. (US) 2001-10-10 EP disclosed
EP-1049665-A1 VLA-4 ANTAGONISTS Novartis AG (Novartis SA) (Novartis Inc.) (CH) 2000-11-08 EP disclosed
WO-1999037605-A1 VLA-4 ANTAGONISTS NOVARTIS AG (CH) 1999-07-29 WO disclosed
EP-0805796-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1997-11-12 EP disclosed
WO-1996022966-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1996-08-01 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 (2 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-20060166866-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM CYP2C9 4763/4885CYP1A2 4565/4885HTT 3064/4885
US-20030018016-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM CYP2C9 4763/4885CYP1A2 4565/4885HTT 3064/4885

“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.