SCHEMBL5970412

SCHEMBL5970412

CC(=O)N[C@@H](CCCCN)C(=O)Nc1cc(C(=O)O)ccc1C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 10/20 0.45
▸ LNPEP Q9UIQ6 10/20 0.45
▸ ERAP1 Q9NZ08 5/20 0.45
▸ CA1 P00915 2/20 0.43
▸ CA2 P00918 2/20 0.43
▸ SIRT6 Q8N6T7 1/20 0.42
▸ SIRT1 Q96EB6 1/20 0.42
▸ CPA1 P15085 1/20 0.42
▸ CPA2 P48052 1/20 0.42
▸ CPA4 Q9UI42 1/20 0.42
▸ TLR2 O60603 2/20 0.40
▸ ITGB3 P05106 1/20 0.39
▸ ITGA2B P08514 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
SCHEMBL6433203 0.89 KLKB1 (0.48) ERAP2LNPEPERAP1CA1CA2
SCHEMBL6433206 0.89 KLKB1 (0.48) ERAP2LNPEPERAP1CA1CA2
SCHEMBL7243074 0.88 HDAC4 (0.48) ERAP2LNPEPERAP1CA1CA2
SCHEMBL5970341 0.79 KLKB1 (0.46) ERAP2LNPEPERAP1
SCHEMBL5970345 0.79 KLKB1 (0.46) ERAP2LNPEPERAP1
SCHEMBL8798419 0.71 NPC1 (0.46) —
SCHEMBL6350473 0.70 HDAC4 (0.54) CA1CA2SIRT1
SCHEMBL5970177 0.70 PLG (0.48) ERAP2LNPEPCPA1CPA2CPA4
SCHEMBL6287948 0.69 CA1 (0.49) CA1CA2SIRT6SIRT1CPA1
SCHEMBL5970151 0.69 CPA1 (0.46) CA1CA2SIRT6SIRT1CPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040110959-A1 Antiangiogenic drug to treat cancer, arthritis and retinopathy ABBVIE INC. 2004-06-10 — — US claimed
US-6632961-B1 Pharmaceutically acceptable salts or prodrugs thereof, are useful for treating pathological states which arise from or are exacerbated by angiogenesis. The invention also relates to pharmaceutical compositions comprising these compounds and to ABBOTT LABORATORIES 2003-10-14 — — US claimed
EP-1080070-A2 ANTIANGIOGENIC DRUG TO TREAT CANCER, ARTHRITIS AND RETINOPATHY ABBOTT LABORATORIES (US) 2001-03-07 — — EP claimed
WO-1999061406-A2 ANTIANGIOGENIC DRUG TO TREAT CANCER, ARTHRITIS AND RETINOPATHY ABBOTT LABORATORIES (US) 1999-12-02 — — WO claimed
EP-1080070-B1 ANTIANGIOGENIC DRUG TO TREAT CANCER, ARTHRITIS AND RETINOPATHY ABBOTT LAB (US) 2006-11-22 — — EP disclosed
US-6849757-B2 Antiangiogenic drug to treat cancer, arthritis and retinopathy ABBOTT LABORATORIES (US) 2005-02-01 — — US disclosed
US-20040110959-A1 Antiangiogenic drug to treat cancer, arthritis and retinopathy ABBVIE INC. 2004-06-10 — — US disclosed
US-6632961-B1 Pharmaceutically acceptable salts or prodrugs thereof, are useful for treating pathological states which arise from or are exacerbated by angiogenesis. The invention also relates to pharmaceutical compositions comprising these compounds and to ABBOTT LABORATORIES 2003-10-14 — — US disclosed
EP-1080070-A2 ANTIANGIOGENIC DRUG TO TREAT CANCER, ARTHRITIS AND RETINOPATHY ABBOTT LABORATORIES (US) 2001-03-07 — — EP disclosed
WO-1999061406-A2 ANTIANGIOGENIC DRUG TO TREAT CANCER, ARTHRITIS AND RETINOPATHY ABBOTT LABORATORIES (US) 1999-12-02 — — WO 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-20040110959-A1 Antiangiogenic drug to treat cancer, arthritis and retinopathy FLT1, VEGFA, KDR ERAP2 2276/4885LNPEP 3218/4885ERAP1 1171/4885

“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.

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