SCHEMBL6481276

SCHEMBL6481276

C[C@@]1(c2ccc(CN)cc2)C(=O)N(CC(=O)O)C(=O)N1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.43
FNTB P49356 2/20 0.43
ATM Q13315 1/20 0.41
ELANE P08246 1/20 0.40
KMT2A Q03164 3/20 0.39
POLB P06746 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PTGDR2 Q9Y5Y4 4/20 0.38
ALDH1A1 P00352 1/20 0.37
AMPD2 Q01433 2/20 0.37
KLKB1 P03952 2/20 0.37

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
SCHEMBL6481273 1.00 FNTA (0.43) FNTAFNTBATMELANEKMT2A
SCHEMBL6481278 1.00 FNTA (0.43) FNTAFNTBATMELANEKMT2A
SCHEMBL4383512 0.90 ATM (0.46) ATMELANEKMT2APOLBCYP2D6
SCHEMBL6758441 0.90 ATM (0.46) ATMELANEKMT2APOLBCYP2D6
SCHEMBL6758440 0.90 ATM (0.46) ATMELANEKMT2APOLBCYP2D6
SCHEMBL4393575 0.89 ATM (0.42) FNTAFNTBATMELANEKMT2A
SCHEMBL6481596 0.89 CYP19A1 (0.43) ATMELANEKMT2APOLBCYP2D6
SCHEMBL6759045 0.89 ATM (0.42) FNTAFNTBATMELANEKMT2A
SCHEMBL6481590 0.89 CYP19A1 (0.43) ATMELANEKMT2APOLBCYP2D6
SCHEMBL6481593 0.89 CYP19A1 (0.43) ATMELANEKMT2APOLBCYP2D6

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-6838439-B2 Heterocytes as inhibitors of leucocyte adhesion and as VLA-4 antagonists AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-01-04 US disclosed
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
US-20020065391-A1 Novel heterocycles as inhibitors of leucocyte adhesion and as VLA-4 antagonists AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-05-30 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 (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-20020065391-A1 Novel heterocycles as inhibitors of leucocyte adhesion and as VLA-4 antagonists VCAM1, ICAM1, ITGB4 FNTA 1463/4885FNTB 1906/4885ATM 4671/4885
US-20040220148-A1 5-Membered ring heterocycles as inhibitors of leucocyte adhesion and as VLA-4 antagonists VCAM1, LTB4R, ITGB4 FNTA 1683/4885FNTB 1294/4885ATM 4810/4885

“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.