SCHEMBL5059759

SCHEMBL5059759

CC(C(CC1CCCCC1)C(=O)O)P(=O)(O)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 7/20 0.45
MMP13 P45452 3/20 0.45
ATM Q13315 1/20 0.42
NPY5R Q15761 1/20 0.41
ACP3 P15309 2/20 0.40
DPEP1 P16444 1/20 0.40
ANPEP P15144 2/20 0.39
ERAP2 Q6P179 2/20 0.39
LTA4H P09960 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
MMP3 P08254 2/20 0.39
MMP2 P08253 1/20 0.39
CCKBR P32239 1/20 0.39
MME P08473 1/20 0.38
ACE P12821 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
SCHEMBL5057917 0.75 FOLH1 (0.48) CPA1
SCHEMBL5053043 0.74 MMP1 (0.61) MMP1MMP13ATMANPEPERAP2
SCHEMBL5060407 0.73 REN (0.43) MMP1MMP13ATMACP3DPEP1
SCHEMBL5051224 0.73 LTA4H (0.50) MMP1MMP13LTA4HNPC1RAB9A
SCHEMBL7928411 0.72 MMP1 (0.40) MMP1MMP13ANPEPERAP2
SCHEMBL5058014 0.72 ERAP2 (0.48) NPY5RANPEPERAP2ACE
SCHEMBL7607308 0.71 MAPT (0.44) CPA1
SCHEMBL5054617 0.71 ANPEP (0.45) ANPEPERAP2
SCHEMBL5052951 0.71 MAPT (0.44) CPA1
SCHEMBL5051256 0.71 HPGD (0.49) NPC1RAB9A

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 3 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
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

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 MMP1 1631/4885MMP13 903/4885ATM 3996/4885

“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.