SCHEMBL7613530

SCHEMBL7613530

CCOC(=O)C(N)Cc1ccc(C(=O)OCc2ccc(OC)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.49
EPHX2 P34913 1/20 0.49
MAPT P10636 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HTT P42858 2/20 0.47
ALDH1A1 P00352 5/20 0.47
LMNA P02545 2/20 0.46
TBXAS1 P24557 2/20 0.45
ESR2 Q92731 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAOB P27338 1/20 0.45
LDHA P00338 1/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44

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
SCHEMBL838803 0.88 LDHA (0.56) PPARGEPHX2MAPTMEN1KMT2A
SCHEMBL839540 0.88 LDHA (0.56) PPARGEPHX2MAPTMEN1KMT2A
SCHEMBL3150323 0.88 LDHA (0.56) PPARGEPHX2MAPTMEN1KMT2A
SCHEMBL7386985 0.87 KMT2A (0.56) PPARGEPHX2MAPTSMN1; SMN2NPC1
SCHEMBL6661843 0.87 KMT2A (0.56) PPARGEPHX2MAPTSMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL29780719 0.87 LDHA (0.54) EPHX2MAPTMEN1KMT2AHTT
Hydrochloric Acid SCHEMBL6661838 0.86 KMT2A (0.55) PPARGEPHX2MAPTSMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL6661836 0.86 KMT2A (0.55) PPARGEPHX2MAPTSMN1; SMN2NPC1
SCHEMBL16689961 0.82 KMT2A (0.67) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL7270126 0.80 LTA4H (0.56) PPARGNPC1RAB9AALDH1A1LDHA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020035127-A1 Phenylalanine derivatives CELLTECH THERAPEUTIS, LIMITED 2002-03-21 US disclosed
US-6329372-B1 HETEROCYCLIC AMIDE COMPOUNDS ARE ABLE TO INHIBIT THE BINDING OF ALPHA4 INTEGRINS TO THEIR LIGANDS AND ARE OF USE IN THE PROPHYLAXIS AND TREATMENT OF IMMUNE OR INFLAMMATORY DISORDERS. CELLTECH THERAPEUTICS LIMITED (GB) 2001-12-11 US 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 (1 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-20020035127-A1 Phenylalanine derivatives PAH, VCAM1, IL4I1 PPARG 766/4885EPHX2 1356/4885MAPT 2626/4885

“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.