SCHEMBL5057892

SCHEMBL5057892

CCC(C(CCC(=O)O)C(=O)O)P(=O)(O)Cc1ccc2ccccc2c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.47
NR1H4 Q96RI1 1/20 0.39
MME P08473 3/20 0.39
ACE P12821 2/20 0.39
CPA1 P15085 1/20 0.39
ACE2 Q9BYF1 1/20 0.39
FFAR1 O14842 1/20 0.39
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38
FOLH1 Q04609 1/20 0.38
MC4R P32245 1/20 0.38
MC5R P33032 1/20 0.38
MC1R Q01726 1/20 0.38

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
SCHEMBL5054249 0.87 FOLH1 (0.46) CPA1FOLH1
SCHEMBL7931943 0.86 CYP1A2 (0.46) CYP1A2NR1H4MMEACEFFAR1
SCHEMBL5060141 0.80 CYP1A2 (0.49) CYP1A2MME
SCHEMBL5059773 0.78 TSHR (0.43) CYP1A2CPA1FOLH1
SCHEMBL5052927 0.77 PPARG (0.43) MMEACECPA1ACE2PPARG
SCHEMBL5052929 0.77 CYP2D6 (0.46) CPA1FOLH1
SCHEMBL5053158 0.77 SLC1A3 (0.37) MMEFOLH1
SCHEMBL5057844 0.76 SMN1; SMN2 (0.45) CPA1FOLH1
SCHEMBL5051297 0.75 CYP1A2 (0.45) CYP1A2NR1H4MMEFFAR1MC4R
SCHEMBL5053210 0.75 TAS1R3 (0.38) FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CYP1A2 4283/4885NR1H4 321/4885MME 942/4885

“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.