SCHEMBL5484585

SCHEMBL5484585

Nc1cc(NS(=O)(=O)c2cc(C(=O)O)cc(C(=O)O)c2)ccc1Cl

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.74
WDR5 P61964 1/20 0.56
MAPT P10636 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
CYP1A2 P05177 1/20 0.50
MAPK1 P28482 1/20 0.49
LMNA P02545 1/20 0.48
PKM P14618 1/20 0.48
CPT2 P23786 1/20 0.47
CPT1A P50416 1/20 0.47
CPT1B Q92523 1/20 0.47
TP53 P04637 1/20 0.47
HSD17B10 Q99714 2/20 0.47
AKR1C3 P42330 1/20 0.47
POLB P06746 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47

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
SCHEMBL2334954 0.86 WDR5 (0.68) ALDH1A1WDR5MAPTNPSR1KMT2A
SCHEMBL2170413 0.81 FFAR4 (0.63) ALDH1A1MAPTNPSR1KMT2AMEN1
SCHEMBL7157627 0.80 ALDH1A1 (0.53) ALDH1A1WDR5MAPTNPSR1KMT2A
SCHEMBL5059972 0.79 KMT2A (0.57) ALDH1A1WDR5MAPTNPSR1KMT2A
SCHEMBL28678247 0.76 HDAC2 (0.60) ALDH1A1WDR5MAPTKMT2AMEN1
SCHEMBL3320242 0.72 MAPT (0.73) ALDH1A1MAPTNPSR1KMT2AMEN1
SCHEMBL11096707 0.71 KMT2A (0.56) ALDH1A1MAPTNPSR1KMT2AMEN1
SCHEMBL21916046 0.71 MAPT (0.50) ALDH1A1MAPTNPSR1KMT2AMEN1
SCHEMBL9119300 0.71 ALDH1A1 (0.54) ALDH1A1MAPTNPSR1KMT2AMEN1
SCHEMBL12903989 0.70 MAPT (0.66) ALDH1A1MAPTNPSR1KMT2AMEN1

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 28 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
EP-4448629-A1 FUNCTIONALIZED GRAPHENE STRUCTURE AND NANOCOMPOSITE COMPRISING SUCH FUNCTIONALIZED GRAPHENE STRUCTURE Glenntex AB (SE) 2024-10-23 EP disclosed
WO-2023113679-A1 FUNCTIONALIZED GRAPHENE STRUCTURE AND NANOCOMPOSITE COMPRISING SUCH FUNCTIONALIZED GRAPHENE STRUCTURE GLENNTEX AB (SE) 2023-06-22 WO disclosed
US-7220780-B2 Naaladase inhibitors for treating retinal disorders and glaucoma GUILFORD PHARMACEUTICALS INC. (US) 2007-05-22 US 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-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
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 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 (7 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 ALDH1A1 814/4885WDR5 1695/4885MAPT 11/4885
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 ALDH1A1 110/4885WDR5 2464/4885MAPT 129/4885
US-20050080139-A1 Naaladase inhibitors for treating huntington's disease HTT, GAA, ADA ALDH1A1 944/4885WDR5 989/4885MAPT 16/4885
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 ALDH1A1 117/4885WDR5 1365/4885MAPT 433/4885
US-20020019430-A1 Nervous system and psychological disorders GLUL, DDC, DNPEP ALDH1A1 228/4885WDR5 2365/4885MAPT 346/4885
US-20040186081-A1 Naaladase inhibitors for treating opioid tolerance OPRD1, OPRK1, OPRM1 ALDH1A1 105/4885WDR5 1818/4885MAPT 434/4885
US-20030036534-A1 Naaladase inhibitors for treating retinal disorders and glaucoma ALDH1A2, GAA, PDE6A ALDH1A1 198/4885WDR5 1599/4885MAPT 266/4885

“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.