SCHEMBL6481345

SCHEMBL6481345

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

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.44
FNTB P49356 2/20 0.44
MDM2 Q00987 3/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PRMT5 O14744 2/20 0.40
WDR77 Q9BQA1 2/20 0.40
ATM Q13315 1/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
GFER P55789 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
SCHEMBL6481347 1.00 FNTA (0.44) FNTAFNTBMDM2NPC1RAB9A
SCHEMBL6481344 1.00 FNTA (0.44) FNTAFNTBMDM2NPC1RAB9A
SCHEMBL6481519 0.89 NPC1 (0.49) FNTAFNTBMDM2NPC1RAB9A
SCHEMBL6481522 0.89 NPC1 (0.49) FNTAFNTBMDM2NPC1RAB9A
SCHEMBL6481526 0.89 NPC1 (0.49) FNTAFNTBMDM2NPC1RAB9A
SCHEMBL6758440 0.88 ATM (0.46) ATM
SCHEMBL4383512 0.88 ATM (0.46) ATM
SCHEMBL6758441 0.88 ATM (0.46) ATM
SCHEMBL6758461 0.86 ATM (0.43) MDM2ATM
SCHEMBL6758456 0.86 ATM (0.43) MDM2ATM

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 6 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-6514952-B1 Hydantoin derivatives as inhibitors of leucocyte adhesion and as VLA-4 antagonists HOECHST AKTIENGESELLSCHAFT (DE) 2003-02-04 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
US-6034238-A ANTIINFLAMMATORY AGENTS; ANTIARTHRITIC AGENT HOECHST MARION ROUSSEL DEUTSCHLAND GMBH (DE) 2000-03-07 US disclosed
US-5998447-A ANTIINFLAMMATORY AGENTS HOECHST AKTIENGESELLSCHAFT AG (DE) 1999-12-07 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 1906/4885MDM2 4077/4885
US-20040220148-A1 5-Membered ring heterocycles as inhibitors of leucocyte adhesion and as VLA-4 antagonists VCAM1, LTB4R, ITGB4 FNTA 1683/4885FNTB 1294/4885MDM2 4529/4885

“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.