SCHEMBL6761544

SCHEMBL6761544

NC(=O)OCc1cccc(C(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 15/20 0.57
FOLH1 Q04609 1/20 0.56
TP53 P04637 3/20 0.55
NFKB1 P19838 3/20 0.55
NFKB2 Q00653 3/20 0.55
RELA Q04206 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
PKM P14618 2/20 0.55
RAB9A P51151 2/20 0.55
RXFP1 Q9HBX9 1/20 0.55
MEN1 O00255 1/20 0.54
NPC1 O15118 1/20 0.54
MITF O75030 1/20 0.54
HPGD P15428 1/20 0.54
XBP1 P17861 1/20 0.54
KMT2A Q03164 1/20 0.54
NR4A2 P43354 1/20 0.53

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
SCHEMBL9677464 0.85 LMNA (0.48) MEN1KMT2A
SCHEMBL6903869 0.83 ALDH1A1 (0.65) MRGPRX4FOLH1TP53NFKB1NFKB2
SCHEMBL30331845 0.82 FOLH1 (0.59) MRGPRX4FOLH1TP53NFKB1NFKB2
SCHEMBL17349941 0.82 FOLH1 (0.59) MRGPRX4FOLH1TP53NFKB1NFKB2
SCHEMBL6000790 0.82 MRGPRX4 (0.68) MRGPRX4FOLH1TP53NFKB1NFKB2
Hydrochloric Acid SCHEMBL27668461 0.81 FOLH1 (0.58) MRGPRX4FOLH1TP53NFKB1NFKB2
SCHEMBL13316468 0.80 FOLH1 (0.61) MRGPRX4FOLH1TP53NFKB1NFKB2
SCHEMBL12591476 0.80 MRGPRX4 (0.56) MRGPRX4FOLH1TP53NFKB1NFKB2
SCHEMBL18641295 0.79 AGXT (0.61) MRGPRX4RAB9ANPC1NR4A2
Benzyl Carbamate SCHEMBL1697 0.79 ALDH1A1 (0.63) SMN1; SMN2PKMRAB9ANPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6759424-B2 2,5-DIOXOIMIDAZOLIDINE OR 2-THIO-5-OXOIMIDAZOLIDINE DERIVATIVES SUITABLE FOR THE THERAPY AND PROPHYLAXIS OF INFLAMMATORY DISORDERS, FOR EXAMPLE OF RHEUMATOID ARTHRITIS, OR OF ALLERGIC DISORDER AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-07-06 US disclosed
US-20030125565-A1 Imidazolidine derivatives, their preparation, their use, and pharmaceutical preparations comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-07-03 US disclosed
US-6423712-B1 2,4-Substituted imidazolidine derivatives, their preparation, their use and pharmaceutical preparations comprising them AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-07-23 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-20030125565-A1 Imidazolidine derivatives, their preparation, their use, and pharmaceutical preparations comprising them VCAM1, ITGA1, ITGA4 MRGPRX4 150/4885FOLH1 4467/4885TP53 4502/4885

“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.