SCHEMBL5051252

SCHEMBL5051252

CC(c1ccsc1)C(CP(=O)(O)Cc1ccccc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 8/20 0.39
MEN1 O00255 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
MMP13 P45452 3/20 0.37
MMP3 P08254 2/20 0.36
MMP2 P08253 2/20 0.36
MMP8 P22894 1/20 0.36
MMP12 P39900 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
SCHEMBL5134276 0.86 MMP1 (0.44) MMP1MEN1CYP2D6CYP2C9CYP2C19
SCHEMBL7606196 0.82 PPARG (0.39) MMP1MEN1CYP2D6CYP2C9CYP2C19
SCHEMBL5059881 0.81 MMP1 (0.40) MMP1MEN1CYP2D6CYP2C9CYP2C19
SCHEMBL5059892 0.81 MMP1 (0.45) MMP1MMP13MMP3MMP2MMP8
SCHEMBL7614441 0.80 MMP1 (0.41) MMP1MEN1CYP2D6CYP2C9CYP2C19
SCHEMBL7608842 0.78 MEN1 (0.43) MMP1MEN1CYP2D6CYP2C9CYP2C19
SCHEMBL5053036 0.77 L3MBTL1 (0.43)
SCHEMBL7613676 0.74 CYP1A2 (0.42) MMP1MEN1CYP2D6CYP2C9CYP2C19
SCHEMBL5059889 0.74 FOLH1 (0.36) MMP1MMP13MMP3MMP2MMP8
SCHEMBL5059743 0.73 FOLH1 (0.47)

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 18 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-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
US-6046180-A NAALADase inhibitors GUILFORD PHARMACEUTICALS INC. (US) 2000-04-04 US 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
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
US-5977090-A Pharmaceutical compositions and methods of treating compulsive disorders using NAALADase inhibitors GUILFORD PHARMACEUTICALS INC. (US) 1999-11-02 US 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 MMP1 115/4885MEN1 3426/4885CYP2D6 3489/4885
US-20080311037-A1 Compounds which bind PSMA and uses thereof FOLH1, PSMA1, BPHL MMP1 1631/4885MEN1 1150/4885CYP2D6 2882/4885
US-20020151503-A1 Methods of cancer treatment using naaladase inhibitors NAALAD2, DNPEP, ACP3 MMP1 831/4885MEN1 1872/4885CYP2D6 3737/4885

“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.