SCHEMBL5053152

SCHEMBL5053152

CC(CC(OP(=O)(O)Cc1ccccc1)C(=O)O)c1c[nH]c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
MAPT P10636 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
PKM P14618 1/20 0.45
MGAM O43451 9/20 0.42
GAA P10253 9/20 0.42
SI P14410 9/20 0.42
MGAM2 Q2M2H8 9/20 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
L3MBTL1 Q9Y468 1/20 0.42
GPR84 Q9NQS5 3/20 0.41
FFAR1 O14842 2/20 0.40
NOD2 Q9HC29 1/20 0.38
SLC6A2 P23975 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
SCHEMBL7609471 0.83 MAPT (0.46) MAPTMEN1KMT2APKMMGAM
SCHEMBL5053132 0.82 ACP3 (0.46) GAA
SCHEMBL5057888 0.82 ACE (0.47) HTR2AHTR2CHTR2BMAPTMEN1
SCHEMBL5053087 0.80 HTR2A (0.45) HTR2AHTR2CHTR2BMAPTMEN1
SCHEMBL5054719 0.80 TRPA1 (0.40) POLB
SCHEMBL5060426 0.80 SMN1; SMN2 (0.55) MAPTMEN1KMT2APKMGAA
SCHEMBL7608831 0.79 GPR84 (0.43) HTR2AHTR2CHTR2BMAPTMEN1
SCHEMBL5057833 0.78 SMN1; SMN2 (0.47) MAPTMEN1KMT2AKDM4EAPAF1
SCHEMBL5057831 0.77 HDAC3 (0.45) MAPTMEN1KMT2APKMMGAM
SCHEMBL5051272 0.76 GPR84 (0.46) HTR2AHTR2CHTR2BMAPTMEN1

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 14 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-6046180-A NAALADase inhibitors GUILFORD PHARMACEUTICALS INC. (US) 2000-04-04 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-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-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 HTR2A 4596/4885HTR2C 4810/4885HTR2B 4581/4885
US-20080311037-A1 Compounds which bind PSMA and uses thereof FOLH1, PSMA1, BPHL HTR2A 3637/4885HTR2C 3724/4885HTR2B 2401/4885
US-20020151503-A1 Methods of cancer treatment using naaladase inhibitors NAALAD2, DNPEP, ACP3 HTR2A 4432/4885HTR2C 4475/4885HTR2B 4519/4885

“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.