SCHEMBL5059655

SCHEMBL5059655

CC(CC(OP(=O)(O)Cc1ccccc1)C(=O)O)c1ccc2ccccc2c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.44
PPARA Q07869 3/20 0.44
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
GLA P06280 1/20 0.38
UGT2B7 P16662 1/20 0.38
AKR1C3 P42330 2/20 0.37
AKR1C2 P52895 2/20 0.37
UTS2R Q9UKP6 1/20 0.37
PIN1 Q13526 1/20 0.36

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
SCHEMBL5054719 0.87 TRPA1 (0.40)
SCHEMBL5059819 0.87 PPARG (0.43) PPARGPPARAADRA2AADRA2BADRA2C
SCHEMBL5051241 0.81 PPARG (0.44) PPARGPPARAGLAUTS2RPIN1
SCHEMBL7645266 0.80 PIN1 (0.42) GLAUGT2B7AKR1C3AKR1C2UTS2R
SCHEMBL5051302 0.80 PPARG (0.56) PPARGPPARAPIN1
SCHEMBL5060007 0.80 FOLH1 (0.33)
SCHEMBL5051318 0.80 MME (0.42) GLAUGT2B7UTS2R
SCHEMBL5053132 0.80 ACP3 (0.46) PPARGPPARA
SCHEMBL5054258 0.79 L3MBTL1 (0.43)
SCHEMBL7610433 0.78 MMP1 (0.45) UTS2R

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 20 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-6046180-A NAALADase inhibitors GUILFORD PHARMACEUTICALS INC. (US) 2000-04-04 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 PPARG 3113/4885PPARA 2998/4885ADRA2A 3853/4885
US-20080311037-A1 Compounds which bind PSMA and uses thereof FOLH1, PSMA1, BPHL PPARG 751/4885PPARA 361/4885ADRA2A 702/4885
US-20020151503-A1 Methods of cancer treatment using naaladase inhibitors NAALAD2, DNPEP, ACP3 PPARG 4038/4885PPARA 3385/4885ADRA2A 4612/4885

“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.