SCHEMBL5060416

SCHEMBL5060416

CC(c1c[nH]c2ccccc12)P(=O)(O)NC(CC(=O)O)CC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 7/20 0.45
GAA P10253 7/20 0.45
SI P14410 7/20 0.45
MGAM2 Q2M2H8 7/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
MAPT P10636 3/20 0.45
PKM P14618 1/20 0.45
GPR84 Q9NQS5 3/20 0.45
FFAR1 O14842 2/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 2/20 0.42
APAF1 O14727 1/20 0.42
POLB P06746 1/20 0.42
RECQL P46063 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42

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
SCHEMBL5057951 0.87 GPR84 (0.50) MGAMGAASIMGAM2MEN1
SCHEMBL7608292 0.82 GGH (0.50) MEN1KMT2AMAPTPKMGPR84
SCHEMBL5054457 0.81 MEN1 (0.46) MGAMGAASIMGAM2MEN1
SCHEMBL3656418 0.76 HTR2A (0.62) MGAMGAASIMGAM2MEN1
SCHEMBL29611986 0.76 HTR2A (0.62) MGAMGAASIMGAM2MEN1
SCHEMBL6982959 0.76 HTR2A (0.62) MGAMGAASIMGAM2MEN1
SCHEMBL6986747 0.76 HTR2A (0.62) MGAMGAASIMGAM2MEN1
SCHEMBL5060419 0.76 MEN1 (0.51) GAAMEN1KMT2AMAPTPKM
SCHEMBL5060065 0.76 KDM4E (0.48) GAAMEN1KMT2AMAPTPKM
Ammonia Solution, Strong SCHEMBL11124638 0.75 HTR2A (0.60) MGAMGAASIMGAM2MEN1

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
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
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-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-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 MGAM 501/4885GAA 15/4885SI 98/4885
US-20080311037-A1 Compounds which bind PSMA and uses thereof FOLH1, PSMA1, BPHL MGAM 1310/4885GAA 77/4885SI 337/4885
US-20020151503-A1 Methods of cancer treatment using naaladase inhibitors NAALAD2, DNPEP, ACP3 MGAM 369/4885GAA 80/4885SI 200/4885

“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.