SCHEMBL5053103

SCHEMBL5053103

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 6/20 0.39
MMP8 P22894 3/20 0.39
NR1H4 Q96RI1 2/20 0.39
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
BLM P54132 1/20 0.38
CASP7 P55210 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
FOLH1 Q04609 2/20 0.37
EPHX2 P34913 1/20 0.37
MME P08473 1/20 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
SCHEMBL5054485 0.88 SLC7A5 (0.46) MMP8HSD17B10FOLH1MME
SCHEMBL5051176 0.80 FOLH1 (0.61) FOLH1MME
SCHEMBL5054541 0.78 FOLH1 (0.61) FOLH1
SCHEMBL5053244 0.76 FOLH1 (0.39) MEP1BFOLH1
SCHEMBL5054563 0.75 FOLH1 (0.41) NR1H4FOLH1EPHX2
SCHEMBL5053203 0.74 FOLH1 (0.48) FOLH1MME
SCHEMBL5956201 0.74 FOLH1 (0.39) NR1H4TP53CYP3A4MAPTALOX15
SCHEMBL14508874 0.74 PPARG (0.47) MAPK1FOLH1
SCHEMBL10235447 0.74 RXRA (0.47) NR1H4TP53CYP3A4MAPTALOX15
SCHEMBL545316 0.74 RXRA (0.47) NR1H4TP53CYP3A4MAPTALOX15

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 MEP1B 930/4885MMP8 3020/4885NR1H4 321/4885
US-20040186081-A1 Naaladase inhibitors for treating opioid tolerance OPRD1, OPRK1, OPRM1 MEP1B 1887/4885MMP8 1305/4885NR1H4 493/4885
US-20030036534-A1 Naaladase inhibitors for treating retinal disorders and glaucoma ALDH1A2, GAA, PDE6A MEP1B 2969/4885MMP8 664/4885NR1H4 1524/4885
US-20060009525-A1 Hydroxamic acids and acyl hydroxamines as NAALADase inhibitors RIMKLA, NAALAD2, NAAA MEP1B 3392/4885MMP8 142/4885NR1H4 2532/4885

“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.