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SCHEMBL5054472

SCHEMBL5054472

O=C(O)C(OP(=O)(O)CCCc1c[nH]c2ccccc12)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ CYP1A2 P05177 3/20 0.47
▸ CYP2C19 P33261 3/20 0.47
▸ CYP2D6 P10635 2/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ KDM4E B2RXH2 3/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ MEN1 O00255 6/20 0.46
▸ KMT2A Q03164 6/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ MAPT P10636 6/20 0.46
▸ LMNA P02545 3/20 0.46
▸ TSHR P16473 2/20 0.46
▸ BLM P54132 2/20 0.46
▸ RECQL P46063 2/20 0.46
▸ APAF1 O14727 1/20 0.46
▸ POLB P06746 1/20 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
SCHEMBL5060251 0.94 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2CYP1A2CYP2C19KDM4E
SCHEMBL5054488 0.87 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2CYP2C19KDM4EL3MBTL1
SCHEMBL5057842 0.82 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2CYP1A2CYP2C19CYP2D6
SCHEMBL8058845 0.81 HPGDS (0.37) SMN1; SMN2CYP1A2CYP2C19CYP2D6CYP3A4
SCHEMBL7053859 0.80 ACP3 (0.43) TDP1
SCHEMBL5051232 0.80 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2CYP1A2CYP2C19CYP2D6
SCHEMBL5054701 0.79 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2CYP1A2CYP2C19CYP2D6
SCHEMBL5057912 0.78 MAPT (0.50) ALDH1A1SMN1; SMN2CYP1A2CYP2C19CYP2D6
SCHEMBL5053171 0.78 CYP2D6 (0.48) SMN1; SMN2CYP2D6TSHRMAPK1
SCHEMBL5054433 0.77 ACP3 (0.43) TDP1

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 33 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
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
WO-1997048400-A1 HYDROXY-PHOSPHINYL DERIVATIVES USEFUL AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1997-12-24 — — 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 ALDH1A1 736/4885SMN1; SMN2 3612/4885CYP1A2 4200/4885
US-20080311037-A1 Compounds which bind PSMA and uses thereof FOLH1, PSMA1, BPHL ALDH1A1 257/4885SMN1; SMN2 3363/4885CYP1A2 4283/4885
US-20020151503-A1 Methods of cancer treatment using naaladase inhibitors NAALAD2, DNPEP, ACP3 ALDH1A1 737/4885SMN1; SMN2 4380/4885CYP1A2 4583/4885

“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.