SCHEMBL5970251

SCHEMBL5970251

COC(=O)c1ccc(NC(=O)[C@H](CCCCN)NC(C)=O)cc1-c1cccc(O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT5 Q9NXA8 4/20 0.48
▸ KLKB1 P03952 1/20 0.44
▸ HPGDS O60760 1/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ SIRT2 Q8IXJ6 4/20 0.39
▸ SIRT1 Q96EB6 4/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CPA1 P15085 1/20 0.38
▸ CPA2 P48052 1/20 0.38
▸ CPA4 Q9UI42 1/20 0.38
▸ HDAC4 P56524 2/20 0.38
▸ MEF2D Q14814 1/20 0.38

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
SCHEMBL5970241 1.00 SIRT5 (0.48) SIRT5KLKB1HPGDSKMT2AKDM4E
SCHEMBL5971526 0.91 SIRT5 (0.47) SIRT5KMT2AKDM4ECYP1A2CYP2C19
SCHEMBL5970942 0.91 SIRT5 (0.52) SIRT5HPGDSKMT2ACA1CA2
SCHEMBL5970300 0.91 SIRT5 (0.52) SIRT5HPGDSKMT2ACA1CA2
SCHEMBL5971110 0.90 KLKB1 (0.42) SIRT5KLKB1HPGDSCA1CA2
SCHEMBL5970497 0.89 SIRT5 (0.53) SIRT5KLKB1HPGDSCA1CA2
SCHEMBL5970494 0.89 SIRT5 (0.53) SIRT5KLKB1HPGDSCA1CA2
SCHEMBL5970252 0.88 LTA4H (0.48) KLKB1HPGDS
SCHEMBL5970333 0.85 HDAC4 (0.45) SIRT5KLKB1HPGDSSIRT2SIRT1
SCHEMBL5970592 0.84 SIRT5 (0.54) SIRT5HPGDSCA1CA2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1080070-B1 ANTIANGIOGENIC DRUG TO TREAT CANCER, ARTHRITIS AND RETINOPATHY ABBOTT LAB (US) 2006-11-22 — — EP claimed
US-6849757-B2 Antiangiogenic drug to treat cancer, arthritis and retinopathy ABBOTT LABORATORIES (US) 2005-02-01 — — US claimed
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 SIRT5 1298/4885KLKB1 2599/4885HPGDS 340/4885

“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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