SCHEMBL5054485

SCHEMBL5054485

COC(=O)c1cc(CC(C(=O)O)C(=O)NO)cc(C(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.46
MMP8 P22894 4/20 0.39
NOTUM Q6P988 1/20 0.39
FOLH1 Q04609 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
LMNA P02545 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MME P08473 1/20 0.35
HMGCR P04035 1/20 0.35

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
SCHEMBL5053103 0.88 MEP1B (0.39) MMP8FOLH1HSD17B10MME
SCHEMBL14508883 0.84 SLC7A5 (0.44) SLC7A5NOTUMFOLH1CA1CA2
SCHEMBL5133977 0.77 SLC7A5 (0.67) SLC7A5MMP8FOLH1
SCHEMBL14293711 0.77 NOTUM (0.49) SLC7A5NOTUMCA1CA2LMNA
SCHEMBL546533 0.76 CA1 (0.46) SLC7A5NOTUMCA1CA2LMNA
SCHEMBL5335840 0.75 NOTUM (0.46) SLC7A5NOTUMCA1CA2LMNA
SCHEMBL16011700 0.74 LMNA (0.49) SLC7A5NOTUMCA1CA2LMNA
SCHEMBL546298 0.73 CA1 (0.54) NOTUMCA1CA2LMNAKDM4E
SCHEMBL2033863 0.73 CA1 (0.54) NOTUMCA1CA2LMNAKDM4E
SCHEMBL14508869 0.72 CA1 (0.49) NOTUMCA1CA2LMNAKDM4E

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
US-20040186081-A1 Naaladase inhibitors for treating opioid tolerance GUILFORD PHARMACEUTICALS INC. 2004-09-23 US claimed
WO-2004078180-A2 NAALADASE INHIBITORS FOR TREATING OPIOID TOLERANCE GUILFORD PHARMACEUTICALS INC. (US) 2004-09-16 WO claimed
EP-1292601-A2 NAALADASE INHIBITORS FOR TREATING RETINAL DISORDERS AND GLAUCOMA GUILFORD PHARMACEUTICALS INC. (US) 2003-03-19 EP claimed
US-20030036534-A1 Naaladase inhibitors for treating retinal disorders and glaucoma EISAI INC. 2003-02-20 US claimed
WO-2001092274-A2 NAALADASE INHIBITORS FOR TREATING RETINAL DISORDERS AND GLAUCOMA GUILFORD PHARMACEUTICALS INC. (US) 2001-12-06 WO claimed
US-20080311037-A1 Compounds which bind PSMA and uses thereof NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2008-12-18 US disclosed
US-7220780-B2 Naaladase inhibitors for treating retinal disorders and glaucoma GUILFORD PHARMACEUTICALS INC. (US) 2007-05-22 US disclosed
US-7220780-B2 Naaladase inhibitors for treating retinal disorders and glaucoma GUILFORD PHARMACEUTICALS INC. (US) 2007-05-22 US disclosed
US-7220780-B2 Naaladase inhibitors for treating retinal disorders and glaucoma GUILFORD PHARMACEUTICALS INC. (US) 2007-05-22 US disclosed
WO-2006093991-A1 COMPOUNDS WHICH BIND PSMA AND USES THEREOF THE CLEVELAND CLINIC FOUNDATION (US) 2006-09-08 WO disclosed
US-20060009525-A1 Hydroxamic acids and acyl hydroxamines as NAALADase inhibitors GUILFORD PHARMACEUTICALS INC. 2006-01-12 US disclosed
US-6884907-B2 Hydroxamic acids and acyl hydroxamines as naaladase inhibitors GUILFORD PHARMACEUTICALS INC. (US) 2005-04-26 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 (4 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-20080311037-A1 Compounds which bind PSMA and uses thereof FOLH1, PSMA1, BPHL SLC7A5 174/4885MMP8 3020/4885NOTUM 3073/4885
US-20040186081-A1 Naaladase inhibitors for treating opioid tolerance OPRD1, OPRK1, OPRM1 SLC7A5 2436/4885MMP8 1305/4885NOTUM 390/4885
US-20030036534-A1 Naaladase inhibitors for treating retinal disorders and glaucoma ALDH1A2, GAA, PDE6A SLC7A5 3160/4885MMP8 664/4885NOTUM 1323/4885
US-20060009525-A1 Hydroxamic acids and acyl hydroxamines as NAALADase inhibitors RIMKLA, NAALAD2, NAAA SLC7A5 1371/4885MMP8 142/4885NOTUM 1540/4885

“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.