SCHEMBL6703341

SCHEMBL6703341

CC(C(=O)O)N1C(=O)N(Cc2ccccc2)C(C)(c2ccc(CN)cc2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
KLKB1 P03952 3/20 0.36
ELANE P08246 1/20 0.35
ALDH1A1 P00352 1/20 0.35
AMPD2 Q01433 6/20 0.35
CALCRL Q16602 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
KLK1 P06870 1/20 0.34
SLC1A2 P43004 1/20 0.34
BACE1 P56817 1/20 0.33

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
SCHEMBL6703343 1.00 FNTA (0.36) FNTAFNTBKLKB1ELANEALDH1A1
SCHEMBL6703342 1.00 FNTA (0.36) FNTAFNTBKLKB1ELANEALDH1A1
SCHEMBL6703355 0.85 MDM2 (0.40) FNTAFNTBSLC1A2
SCHEMBL6703358 0.85 MDM2 (0.40) FNTAFNTBSLC1A2
SCHEMBL6703359 0.85 MDM2 (0.40) FNTAFNTBSLC1A2
SCHEMBL6481273 0.80 FNTA (0.43) FNTAFNTBKLKB1ELANEALDH1A1
SCHEMBL6481278 0.80 FNTA (0.43) FNTAFNTBKLKB1ELANEALDH1A1
SCHEMBL6481276 0.80 FNTA (0.43) FNTAFNTBKLKB1ELANEALDH1A1
SCHEMBL6758465 0.79 CALCRL (0.39) ELANEALDH1A1AMPD2CALCRLCYP2C19
SCHEMBL4393271 0.79 CALCRL (0.39) ELANEALDH1A1AMPD2CALCRLCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040220148-A1 5-Membered ring heterocycles as inhibitors of leucocyte adhesion and as VLA-4 antagonists AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-11-04 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-20040220148-A1 5-Membered ring heterocycles as inhibitors of leucocyte adhesion and as VLA-4 antagonists VCAM1, LTB4R, ITGB4 FNTA 1683/4885FNTB 1294/4885KLKB1 1865/4885

“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.