SCHEMBL5054405

SCHEMBL5054405

CC(C)(C)C(C(C(=O)O)c1cccs1)P(=O)(O)Cc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
MMP1 P03956 4/20 0.36
MMP13 P45452 3/20 0.36
MMP9 P14780 1/20 0.36
HPGD P15428 1/20 0.35
TSHR P16473 3/20 0.34
MMP3 P08254 2/20 0.34
MMP2 P08253 2/20 0.34
LMNA P02545 2/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
THRB P10828 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MMP8 P22894 1/20 0.34
MMP12 P39900 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL5054389 0.74 ACE (0.39) MMP1MMP13HPGDMMP3MMP2
SCHEMBL7604585 0.73 POLB (0.40) MAPTMMP1MMP13TSHRMMP3
SCHEMBL5054449 0.71 OPRM1 (0.39) POLB
SCHEMBL5510009 0.70 ALOX5 (0.49) MAPTHPGDTSHRLMNATP53
SCHEMBL5515135 0.70 ALOX5 (0.49) MAPTHPGDTSHRLMNATP53
SCHEMBL7607449 0.70 TSHR (0.38) MAPTHPGDTSHRLMNATP53
SCHEMBL7606637 0.69 TSHR (0.43) MAPTHPGDTSHRLMNATP53
SCHEMBL5054324 0.69 ALDH1A1 (0.41) MMP1MMP13MMP3MMP2ALDH1A1
SCHEMBL5054326 0.69 MMP1 (0.38) MMP1MMP13CYP2D6
SCHEMBL5053038 0.66 CYP2D6 (0.48) HPGDCYP2D6

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0994707-A4 INHIBITORS OF NAALADASE ENZYME ACTIVITY GUILFORD PHARM INC (US) 2001-11-14 EP claimed
EP-0994707-A1 INHIBITORS OF NAALADASE ENZYME ACTIVITY GUILFORD PHARMACEUTICALS INC. (US) 2000-04-26 EP claimed
WO-1998053812-A1 INHIBITORS OF NAALADASE ENZYME ACTIVITY GUILFORD PHARMACEUTICALS INC. (US) 1998-12-03 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
EP-0994707-A4 INHIBITORS OF NAALADASE ENZYME ACTIVITY GUILFORD PHARM INC (US) 2001-11-14 EP disclosed
EP-0994707-A1 INHIBITORS OF NAALADASE ENZYME ACTIVITY GUILFORD PHARMACEUTICALS INC. (US) 2000-04-26 EP disclosed
US-6025345-A NOVEL PHOSPHONATE DERIVATIVES, HYDROXYPHOSPHINYL DERIVATIVES, AND PHOSPHORAMIDATE DERIVATIVES THAT INHIBIT N-ACETYLATED .ALPHA.-LINKED ACIDIC DIPEPTIDASE (NAALADASE) ENZYME ACTIVITY, GUILFORD PHARMACEUTICALS INC. (US) 2000-02-15 US disclosed
WO-1998053812-A1 INHIBITORS OF NAALADASE ENZYME ACTIVITY GUILFORD PHARMACEUTICALS INC. (US) 1998-12-03 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 (1 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-20080311037-A1 Compounds which bind PSMA and uses thereof FOLH1, PSMA1, BPHL MAPT 1556/4885MMP1 1631/4885MMP13 903/4885

“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.