SCHEMBL5059848

SCHEMBL5059848

O=C(O)C(Cc1ccccc1)CP(=O)(O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.69
CYP1A2 P05177 1/20 0.68
ERAP2 Q6P179 4/20 0.65
ANPEP P15144 4/20 0.65
LAP3 P28838 6/20 0.61
ERAP1 Q9NZ08 2/20 0.61
CPA3 P15088 3/20 0.59
CPA1 P15085 2/20 0.59
CPB1 P15086 1/20 0.59
CPB2 Q96IY4 1/20 0.59

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
SCHEMBL7367028 0.86 FOLH1 (0.55) FOLH1CYP1A2ERAP2ANPEP
SCHEMBL9068560 0.86 CYP1A2 (0.63) FOLH1CYP1A2ERAP2ANPEPLAP3
SCHEMBL5058107 0.84 CYP1A2 (0.61) FOLH1CYP1A2ERAP2ANPEPLAP3
SCHEMBL30861830 0.82 FOLH1 (0.70) FOLH1CYP1A2ERAP2ANPEPLAP3
SCHEMBL29182376 0.82 FOLH1 (0.70) FOLH1CYP1A2ERAP2ANPEPLAP3
SCHEMBL7440491 0.82 FOLH1 (0.51) FOLH1CYP1A2ERAP2ANPEP
SCHEMBL5051239 0.82 ERAP1 (0.58) FOLH1ERAP2ANPEPLAP3ERAP1
SCHEMBL4664822 0.82 CYP1A2 (1.00) FOLH1CYP1A2CPA3CPA1CPB1
SCHEMBL7361954 0.81 SLC1A3 (0.59) FOLH1CYP1A2ERAP2ANPEPLAP3
SCHEMBL9696151 0.80 ANPEP (0.72) ERAP2ANPEPLAP3ERAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6395718-B1 RHEUMATIC DISEASES; ANTIARTHRITIC AGENTS; CARDIOVASCULAR DISORDERS GUILFORD PHARMACEUTICALS INC. 2002-05-28 US claimed
JP-2002514185-A 2002-05-14 JP claimed
US-6054444-A INHIBIT N-ACETYLATED ALPHA-LINKED ACIDIC DIPEPTIDASE (NAALADASE) ENZYME ACTIVITY GUILFORD PHARMACEUTICALS INC. (US) 2000-04-25 US claimed
US-5977090-A Pharmaceutical compositions and methods of treating compulsive disorders using NAALADase inhibitors GUILFORD PHARMACEUTICALS INC. (US) 1999-11-02 US claimed
EP-0949922-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF TREATING COMPULSIVE DISORDERS USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-10-20 EP claimed
WO-1998047906-A1 PHOSPHONIC ACID DERIVATIVES GUILFORD PHARMACEUTICALS INC. (US) 1998-10-29 WO claimed
WO-1998013044-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF TREATING COMPULSIVE DISORDERS USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1998-04-02 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
US-6395718-B1 RHEUMATIC DISEASES; ANTIARTHRITIC AGENTS; CARDIOVASCULAR DISORDERS GUILFORD PHARMACEUTICALS INC. 2002-05-28 US disclosed
US-6288046-B1 ACETYLATED ALPHA-LINKED ACIDIC DIPEPTIDASE/N-/ INHIBITORS; CARBOXYALKYLPHOSPHATES; PROSTATE DISORDERS; GLUTAMATE ABNORMALITIES; NERVOUS SYSTEM DISORDERS GUILFORD PHARMACEUTICALS INC. 2001-09-11 US disclosed
US-6054444-A INHIBIT N-ACETYLATED ALPHA-LINKED ACIDIC DIPEPTIDASE (NAALADASE) ENZYME ACTIVITY GUILFORD PHARMACEUTICALS INC. (US) 2000-04-25 US disclosed
US-5977090-A Pharmaceutical compositions and methods of treating compulsive disorders using NAALADase inhibitors GUILFORD PHARMACEUTICALS INC. (US) 1999-11-02 US disclosed
EP-0949922-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF TREATING COMPULSIVE DISORDERS USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-10-20 EP disclosed
WO-1998047906-A1 PHOSPHONIC ACID DERIVATIVES GUILFORD PHARMACEUTICALS INC. (US) 1998-10-29 WO disclosed
WO-1998013044-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF TREATING COMPULSIVE DISORDERS USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1998-04-02 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 (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 FOLH1 56/4885CYP1A2 4200/4885ERAP2 494/4885
US-20080311037-A1 Compounds which bind PSMA and uses thereof FOLH1, PSMA1, BPHL FOLH1 1/4885CYP1A2 4283/4885ERAP2 2325/4885

“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.