SCHEMBL5053129

SCHEMBL5053129

O=C(O)C(CCCc1cccc2ccccc12)OP(=O)(O)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 2/20 0.44
MCL1 Q07820 3/20 0.41
KMT2A Q03164 1/20 0.41
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
ECE1 P42892 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
METAP2 P50579 1/20 0.38
GRB2 P62993 2/20 0.38
FFAR1 O14842 1/20 0.37
AKR1B1 P15121 1/20 0.37
HRH4 Q9H3N8 1/20 0.37

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
SCHEMBL5053317 0.97 ACP3 (0.43) ACP3MCL1KMT2ASLC1A3SLC1A2
SCHEMBL5059738 0.93 ACP3 (0.46) ACP3MCL1KMT2ASLC1A3SLC1A2
SCHEMBL5053233 0.86 ACP3 (0.48) ACP3KMT2ASLC1A3SLC1A2SLC1A1
SCHEMBL5054717 0.84 PPARG (0.52) PPARGPPARA
SCHEMBL5053143 0.82 MC3R (0.47) KMT2A
SCHEMBL5057873 0.82 FOLH1 (0.43) ACP3MCL1KMT2ASLC1A3SLC1A2
SCHEMBL5057950 0.81 PPARG (0.50) ACP3PPARGPPARA
SCHEMBL5052948 0.81 FOLH1 (0.42) ACP3MCL1KMT2ASLC1A3SLC1A2
SCHEMBL5059650 0.81 CYP1A2 (0.48) SLC1A3SLC1A2SLC1A1SIGMAR1PPARG
SCHEMBL5053000 0.80 ACE (0.52) PPARGPPARA

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 19 patents. 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
US-6046180-A NAALADase inhibitors GUILFORD PHARMACEUTICALS INC. (US) 2000-04-04 US claimed
EP-0954295-A1 METHODS OF CANCER TREATMENT USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-11-10 EP 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
US-20020151503-A1 Methods of cancer treatment using naaladase inhibitors SLUSHER BARBARA S (US) 2002-10-17 US disclosed
US-6413948-B1 CENTRAL NERVOUS SYSTEM DISORDERS GUILFORD PHARMACEUTICALS INC. 2002-07-02 US disclosed
US-6395718-B1 RHEUMATIC DISEASES; ANTIARTHRITIC AGENTS; CARDIOVASCULAR DISORDERS GUILFORD PHARMACEUTICALS INC. 2002-05-28 US disclosed
US-6384022-B1 ENZYME INHIBITORS GUILFORD PHARMACEUTICALS INC. 2002-05-07 US disclosed
US-6372726-B1 ADMINISTERING CARBOXYALKYL PHOSPHONATE, PHOSPHORAMIDATE, OR PHOSPHINE OXIDE DERIVATIVE AS ANTITUMOR AGENT TO TREAT CANCER OF PROSTATE GLAND GUILFORD PHARMACEUTICALS INC. 2002-04-16 US disclosed
US-6011021-A GLUTAMATE-DERIVED HYDROXYPHOSPHINYL DERIVATIVE. GUILFORD PHARMACEUTICALS INC. (US) 2000-01-04 US disclosed
EP-0954295-A1 METHODS OF CANCER TREATMENT USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-11-10 EP disclosed
US-5977090-A Pharmaceutical compositions and methods of treating compulsive disorders using NAALADase inhibitors GUILFORD PHARMACEUTICALS INC. (US) 1999-11-02 US disclosed
WO-1997048409-A1 METHODS OF CANCER TREATMENT USING 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 ACP3 92/4885MCL1 3556/4885KMT2A 2478/4885
US-20080311037-A1 Compounds which bind PSMA and uses thereof FOLH1, PSMA1, BPHL ACP3 36/4885MCL1 2740/4885KMT2A 1052/4885
US-20020151503-A1 Methods of cancer treatment using naaladase inhibitors NAALAD2, DNPEP, ACP3 ACP3 3/4885MCL1 4047/4885KMT2A 1200/4885

“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.