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SCHEMBL5054505

SCHEMBL5054505

O=C(O)C(CP(=O)(O)Cc1c[nH]c2ccccc12)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ECE1 P42892 3/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ KDM4E B2RXH2 3/20 0.50
▸ MAPT P10636 3/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ APAF1 O14727 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ MPO P05164 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ BLM P54132 1/20 0.50
▸ PMP22 Q01453 1/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ ITGB2 P05107 5/20 0.46
▸ ICAM1 P05362 5/20 0.46

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
SCHEMBL7605667 0.92 ECE1 (0.46) ECE1SMN1; SMN2KDM4EMAPTMEN1
SCHEMBL5054446 0.88 SMN1; SMN2 (0.49) ECE1SMN1; SMN2KDM4EMAPTMEN1
SCHEMBL5051232 0.86 ALDH1A1 (0.47) ECE1SMN1; SMN2KDM4EMAPTMEN1
SCHEMBL5051189 0.85 HPGDS (0.39) ECE1SMN1; SMN2KDM4EMAPTMEN1
SCHEMBL5051215 0.81 GRM3 (0.51) SMN1; SMN2KDM4EMAPTMEN1KMT2A
SCHEMBL7606051 0.80 MEN1 (0.46) ECE1SMN1; SMN2KDM4EMAPTMEN1
SCHEMBL5052798 0.78 ACP3 (0.55) SMN1; SMN2MAPTMEN1KMT2ATSHR
SCHEMBL7606496 0.78 MAPT (0.56) SMN1; SMN2KDM4EMAPTMEN1KMT2A
SCHEMBL5054488 0.77 SMN1; SMN2 (0.50) ECE1SMN1; SMN2KDM4EMAPTMEN1
SCHEMBL5060094 0.77 SMN1; SMN2 (0.50) ECE1SMN1; SMN2KDM4EMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020151503-A1 Methods of cancer treatment using naaladase inhibitors SLUSHER BARBARA S (US) 2002-10-17 — — US claimed
US-6413948-B1 CENTRAL NERVOUS SYSTEM DISORDERS GUILFORD PHARMACEUTICALS INC. 2002-07-02 — — US claimed
US-6395718-B1 RHEUMATIC DISEASES; ANTIARTHRITIC AGENTS; CARDIOVASCULAR DISORDERS GUILFORD PHARMACEUTICALS INC. 2002-05-28 — — US claimed
JP-2002515040-A — — 2002-05-21 — — JP claimed
JP-2002514160-A — — 2002-05-14 — — JP claimed
JP-2002514184-A — — 2002-05-14 — — JP claimed
EP-1005348-A1 NAALADASE COMPOSITIONS AND METHODS FOR TREATING GLUTAMATE ABNORMALITY AND EFFECTING NEURONAL ACTIVITY IN ANIMALS GUILFORD PHARMACEUTICALS INC. (US) 2000-06-07 — — EP claimed
EP-0954295-A1 METHODS OF CANCER TREATMENT USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-11-10 — — EP claimed
EP-0936914-A1 HYDROXY-PHOSPHINYL DERIVATIVES USEFUL AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-08-25 — — EP claimed
EP-0936914-A4 — — 1999-08-25 — — EP claimed
WO-1998013046-A1 NAALADASE COMPOSITIONS AND METHODS FOR TREATING GLUTAMATE ABNORMALITY AND EFFECTING NEURONAL ACTIVITY IN ANIMALS GUILFORD PHARMACEUTICALS INC. (US) 1998-04-02 — — WO claimed
WO-1997048400-A1 HYDROXY-PHOSPHINYL DERIVATIVES USEFUL AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1997-12-24 — — WO claimed
WO-1997048409-A1 METHODS OF CANCER TREATMENT USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1997-12-24 — — 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-0949922-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF TREATING COMPULSIVE DISORDERS USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-10-20 — — EP disclosed
WO-1999033849-A1 PRODRUGS OF NAALADASE INHIBITORS GUILDFORD PHARMACEUTICALS INC. (US) 1999-07-08 — — 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
WO-1998013046-A1 NAALADASE COMPOSITIONS AND METHODS FOR TREATING GLUTAMATE ABNORMALITY AND EFFECTING NEURONAL ACTIVITY IN ANIMALS 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 (3 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 ECE1 295/4885SMN1; SMN2 3612/4885KDM4E 2321/4885
US-20080311037-A1 Compounds which bind PSMA and uses thereof FOLH1, PSMA1, BPHL ECE1 1669/4885SMN1; SMN2 3363/4885KDM4E 1768/4885
US-20020151503-A1 Methods of cancer treatment using naaladase inhibitors NAALAD2, DNPEP, ACP3 ECE1 1142/4885SMN1; SMN2 4380/4885KDM4E 1114/4885

“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.