SCHEMBL5059972

SCHEMBL5059972

O=C(O)c1cc(C(=O)O)cc(S(=O)(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.57
MEN1 O00255 5/20 0.57
ALDH1A1 P00352 2/20 0.57
KDM4E B2RXH2 1/20 0.57
SLC25A1 P53007 2/20 0.56
LMNA P02545 3/20 0.54
MAPT P10636 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
WDR5 P61964 1/20 0.54
GAA P10253 1/20 0.51
HTT P42858 1/20 0.51
DNMT1 P26358 1/20 0.50
DNMT3A Q9Y6K1 1/20 0.50
IDH1 O75874 1/20 0.50
FFAR4 Q5NUL3 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HSPD1 P10809 1/20 0.49
PTPN2 P17706 1/20 0.49
PTPN1 P18031 1/20 0.49
PTPN5 P54829 1/20 0.49

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
SCHEMBL7371667 0.89 KMT2A (0.62) KMT2AMEN1KDM4ESLC25A1LMNA
SCHEMBL24215474 0.83 MEN1 (0.70) KMT2AMEN1SLC25A1LMNAMAPT
SCHEMBL30515749 0.83 MEN1 (0.70) KMT2AMEN1SLC25A1LMNAMAPT
SCHEMBL9749511 0.83 FFAR4 (0.71) KMT2AMEN1ALDH1A1SLC25A1LMNA
SCHEMBL27562522 0.82 KMT2A (0.44) KMT2AMEN1ALDH1A1KDM4ESLC25A1
SCHEMBL6708037 0.81 SLC25A1 (0.54) KMT2AMEN1ALDH1A1SLC25A1LMNA
SCHEMBL9997594 0.80 SLC25A1 (0.65) KMT2AMEN1SLC25A1MAPTDNMT1
SCHEMBL27809726 0.79 VCAM1 (0.61) KMT2AMEN1ALDH1A1SLC25A1LMNA
SCHEMBL5484585 0.79 ALDH1A1 (0.74) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL5225915 0.79 VCAM1 (0.64) ALDH1A1SLC25A1LMNAMAPTHTT

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050080139-A1 Naaladase inhibitors for treating huntington's disease GUILFORD PHARMACEUTICALS INC. 2005-04-14 US claimed
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
WO-2003057154-A2 NAALADASE INHIBITORS FOR TREATING HUNTINGTON'S DISEASE GUILDFORD PHARMACEUTICALS INC. (US) 2003-07-17 WO claimed
US-20030083505-A1 Spinal cord injury, demyelinating diseases, Parkinson's disease, Amyotrophic Lateral Sclerosis, alcohol, nicotine, cocaine dependence, neuropathy, pain and schizophrenia; antiischemic, - carcinogenic agents; NAALADase inhibitors EISAI INC. 2003-05-01 US 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
US-6452044-B2 NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS GUILFORD PHARMACEUTICALS INC. 2002-09-17 US claimed
US-20020019430-A1 Nervous system and psychological disorders EISAI INC. 2002-02-14 US claimed
US-20020013295-A1 Naaladase inhibitors for treating amyotrophic lateral sclerosis GUILFORD PHARMACEUTICALS INC., A DELAWARE CORPORATION 2002-01-31 US claimed
WO-2001092274-A2 NAALADASE INHIBITORS FOR TREATING RETINAL DISORDERS AND GLAUCOMA GUILFORD PHARMACEUTICALS INC. (US) 2001-12-06 WO claimed
WO-2001091738-A2 NAALADASE INHIBITORS FOR TREATING AMYOTROPHIC LATERAL SCLEROSIS 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
WO-2006093991-A1 COMPOUNDS WHICH BIND PSMA AND USES THEREOF THE CLEVELAND CLINIC FOUNDATION (US) 2006-09-08 WO disclosed
US-20050171065-A1 NAALADas, N-Acetylated-Alpha-Linked-Acidic-Dipeptidase inhibitors; 5-phosphonomethyl-1,3-benzenedicarboxylic Acid; glutamate abnormalities, anticancer, antidiabetic agent, angiogenesis inhibitor, neuropathy, pain, compulsive disorders, prostate diseases, glaucoma GUILFORD PHARMACEUTICALS INC. 2005-08-04 US disclosed
US-6452044-B2 NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS GUILFORD PHARMACEUTICALS INC. 2002-09-17 US disclosed
US-20020013295-A1 Naaladase inhibitors for treating amyotrophic lateral sclerosis GUILFORD PHARMACEUTICALS INC., A DELAWARE CORPORATION 2002-01-31 US disclosed
WO-2001092274-A2 NAALADASE INHIBITORS FOR TREATING RETINAL DISORDERS AND GLAUCOMA GUILFORD PHARMACEUTICALS INC. (US) 2001-12-06 WO disclosed
WO-2001091738-A2 NAALADASE INHIBITORS FOR TREATING AMYOTROPHIC LATERAL SCLEROSIS GUILFORD PHARMACEUTICALS INC. (US) 2001-12-06 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 (8 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-20020013295-A1 Naaladase inhibitors for treating amyotrophic lateral sclerosis SMN1; SMN2, GAA, NAALAD2 KMT2A 1576/4885MEN1 4323/4885ALDH1A1 814/4885
US-20030083505-A1 Spinal cord injury, demyelinating diseases, Parkinson's disease, Amyotrophic Lateral Sclerosis, alcohol, nicotine, cocaine dependence, neuropathy, pain and schizophrenia; antiischemic, - carcinogenic agents; NAALADase inhibitors NGF, GAP43, ACHE KMT2A 4698/4885MEN1 4503/4885ALDH1A1 110/4885
US-20050080139-A1 Naaladase inhibitors for treating huntington's disease HTT, GAA, ADA KMT2A 655/4885MEN1 2256/4885ALDH1A1 944/4885
US-20080311037-A1 Compounds which bind PSMA and uses thereof FOLH1, PSMA1, BPHL KMT2A 1052/4885MEN1 1150/4885ALDH1A1 257/4885
US-20050171065-A1 NAALADas, N-Acetylated-Alpha-Linked-Acidic-Dipeptidase inhibitors; 5-phosphonomethyl-1,3-benzenedicarboxylic Acid; glutamate abnormalities, anticancer, antidiabetic agent, angiogenesis inhibitor, neuropathy, pain, compulsive disorders, prostate diseases, glaucoma NAALAD2, GLUL, DNPEP KMT2A 3412/4885MEN1 3758/4885ALDH1A1 117/4885
US-20020019430-A1 Nervous system and psychological disorders GLUL, DDC, DNPEP KMT2A 2656/4885MEN1 2405/4885ALDH1A1 228/4885
US-20040186081-A1 Naaladase inhibitors for treating opioid tolerance OPRD1, OPRK1, OPRM1 KMT2A 734/4885MEN1 4798/4885ALDH1A1 105/4885
US-20030036534-A1 Naaladase inhibitors for treating retinal disorders and glaucoma ALDH1A2, GAA, PDE6A KMT2A 2857/4885MEN1 1604/4885ALDH1A1 198/4885

“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.