SCHEMBL6037779

SCHEMBL6037779

Cc1ccccc1NCC(C(CCC(=O)O)C(=O)O)[PH](=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.41
ITGAV P06756 2/20 0.41
HPGD P15428 5/20 0.38
P2RX7 Q99572 1/20 0.38
ITGB1 P05556 1/20 0.37
ITGA5 P08648 1/20 0.37
POLB P06746 2/20 0.36
MEN1 O00255 1/20 0.36
NSD2 O96028 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL5060183 0.86 MEN1 (0.37) HPGDPOLBMEN1NSD2BLM
SCHEMBL5053256 0.86 CXCL8 (0.38) HPGDPOLBMEN1NSD2BLM
SCHEMBL5060641 0.85 ALDH1A1 (0.55) HPGDPOLBMEN1NSD2BLM
SCHEMBL5051226 0.85 CXCL8 (0.37) HPGDPOLBMEN1NSD2BLM
SCHEMBL5054443 0.85 ALDH1A1 (0.41) HPGDPOLBMEN1NSD2BLM
SCHEMBL5054477 0.85 LMNA (0.41) HPGDPOLBMEN1KMT2AHDAC3
SCHEMBL5052977 0.83 GAA (0.41) HPGDPOLBMEN1NSD2BLM
SCHEMBL7050371 0.82 POLB (0.40) HPGDPOLBMEN1NSD2BLM
SCHEMBL7055730 0.81 MEN1 (0.41) HPGDMEN1KMT2AMAPTALDH1A1
SCHEMBL5052937 0.80 FFAR1 (0.43) HPGDPOLBMEN1BLMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1066297-B1 PHOSPHINIC ACID DERIVATIVES GUILFORD PHARM INC (US) 2002-10-23 EP claimed
US-6395718-B1 RHEUMATIC DISEASES; ANTIARTHRITIC AGENTS; CARDIOVASCULAR DISORDERS GUILFORD PHARMACEUTICALS INC. 2002-05-28 US claimed
JP-2002509934-A 2002-04-02 JP claimed
EP-1066297-A1 PHOSPHINIC ACID DERIVATIVES GUILFORD PHARMACEUTICALS INC. (US) 2001-01-10 EP claimed
US-6121252-A N-ACETYLATED ALPHA-LINKED ACIDIC DIPEPTIDASE (NAALADASE) ENZYME INHIBITORS TO TREAT GLUTAMATE ABNORMALITIES AND PROSTATE DISEASES GUILFORD PHARMACEUTICALS INC. (US) 2000-09-19 US claimed
WO-1999050272-A1 PHOSPHINIC ACID DERIVATIVES GUILFORD PHARMACEUTICALS INC. (US) 1999-10-07 WO claimed
WO-2006093991-A1 COMPOUNDS WHICH BIND PSMA AND USES THEREOF THE CLEVELAND CLINIC FOUNDATION (US) 2006-09-08 WO disclosed
US-20030064912-A1 Pharmaceutical compositions and methods of inhibiting angiogenesis using NAALADase inhibitors SLUSHER BARBARA S (US) 2003-04-03 US disclosed
EP-1066297-B1 PHOSPHINIC ACID DERIVATIVES GUILFORD PHARM INC (US) 2002-10-23 EP disclosed
US-6395718-B1 RHEUMATIC DISEASES; ANTIARTHRITIC AGENTS; CARDIOVASCULAR DISORDERS GUILFORD PHARMACEUTICALS INC. 2002-05-28 US disclosed
EP-1066297-A1 PHOSPHINIC ACID DERIVATIVES GUILFORD PHARMACEUTICALS INC. (US) 2001-01-10 EP disclosed
US-6121252-A N-ACETYLATED ALPHA-LINKED ACIDIC DIPEPTIDASE (NAALADASE) ENZYME INHIBITORS TO TREAT GLUTAMATE ABNORMALITIES AND PROSTATE DISEASES GUILFORD PHARMACEUTICALS INC. (US) 2000-09-19 US disclosed
WO-1999050272-A1 PHOSPHINIC ACID DERIVATIVES GUILFORD PHARMACEUTICALS INC. (US) 1999-10-07 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-20030064912-A1 Pharmaceutical compositions and methods of inhibiting angiogenesis using NAALADase inhibitors NAALAD2, DNPEP, DPP9 ITGB3 1613/4885ITGAV 1456/4885HPGD 474/4885

“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.