SCHEMBL5060183

SCHEMBL5060183

O=C(O)CCC(C(=O)O)C(CNc1ccccc1O)[PH](=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
POLB P06746 2/20 0.37
NSD2 O96028 1/20 0.37
BLM P54132 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ALDH1A1 P00352 6/20 0.37
HSD17B10 Q99714 4/20 0.37
KDM4E B2RXH2 4/20 0.37
MAPT P10636 3/20 0.37
GAA P10253 3/20 0.37
HPGD P15428 3/20 0.37
TP53 P04637 2/20 0.37
TSHR P16473 2/20 0.37
ALOX15 P16050 1/20 0.37
MCL1 Q07820 1/20 0.37
GGH Q92820 1/20 0.36
ALOX12 P18054 2/20 0.35
THRB P10828 1/20 0.35
CPA3 P15088 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
SCHEMBL5053256 0.88 CXCL8 (0.38) MEN1KMT2APOLBNSD2BLM
SCHEMBL5060641 0.86 ALDH1A1 (0.55) MEN1KMT2APOLBNSD2BLM
SCHEMBL5051226 0.86 CXCL8 (0.37) MEN1KMT2APOLBNSD2BLM
SCHEMBL6037779 0.86 ITGB3 (0.41) MEN1KMT2APOLBNSD2BLM
SCHEMBL5052977 0.84 GAA (0.41) MEN1KMT2APOLBNSD2BLM
SCHEMBL5054477 0.83 LMNA (0.41) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL7050371 0.83 POLB (0.40) MEN1KMT2APOLBNSD2BLM
SCHEMBL5054443 0.83 ALDH1A1 (0.41) MEN1KMT2APOLBNSD2BLM
SCHEMBL7055730 0.82 MEN1 (0.41) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL5053312 0.81 CYP1A1 (0.41) MEN1KMT2APOLBNSD2BLM

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
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
US-20080311037-A1 Compounds which bind PSMA and uses thereof NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2008-12-18 US disclosed
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 MEN1 3426/4885KMT2A 2478/4885POLB 1695/4885
US-20080311037-A1 Compounds which bind PSMA and uses thereof FOLH1, PSMA1, BPHL MEN1 1150/4885KMT2A 1052/4885POLB 2955/4885

“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.