SCHEMBL5059792

SCHEMBL5059792

CC(C1CCCO1)P(=O)(O)CC(C(=O)O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.45
GAA P10253 1/20 0.45
SLC6A3 Q01959 2/20 0.44
TDP1 Q9NUW8 1/20 0.43
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 2/20 0.40
BRD4 O60885 1/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
PKM P14618 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL5054408 0.86 TDP1 (0.46) HPGDGAASLC6A3TDP1KMT2A
SCHEMBL7614185 0.78 SMN1; SMN2 (0.48) HPGDGAASLC6A3TDP1KMT2A
SCHEMBL5054724 0.76 SLC6A3 (0.47) HPGDGAASLC6A3TDP1KMT2A
SCHEMBL5054583 0.76 SLC6A3 (0.47) HPGDGAASLC6A3TDP1KMT2A
SCHEMBL5054537 0.76 HPGD (0.48) HPGDTDP1KMT2AMEN1ALDH1A1
SCHEMBL5060114 0.74 SLC6A3 (0.41) HPGDGAASLC6A3TDP1KMT2A
SCHEMBL5059796 0.74 HPGD (0.46) HPGDTDP1KMT2AMEN1ALDH1A1
SCHEMBL5053308 0.73 CYP2C19 (0.45) ALDH1A1POLBCYP2D6CYP2C19SMN1; SMN2
SCHEMBL5051126 0.73 FOLH1 (0.47)
SCHEMBL5054412 0.72 HPGD (0.45) HPGDTDP1KMT2AMEN1HTT

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 8 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-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
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-6395718-B1 RHEUMATIC DISEASES; ANTIARTHRITIC AGENTS; CARDIOVASCULAR DISORDERS GUILFORD PHARMACEUTICALS INC. 2002-05-28 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-6046180-A NAALADase inhibitors GUILFORD PHARMACEUTICALS INC. (US) 2000-04-04 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 HPGD 474/4885GAA 15/4885SLC6A3 1996/4885
US-20080311037-A1 Compounds which bind PSMA and uses thereof FOLH1, PSMA1, BPHL HPGD 3806/4885GAA 77/4885SLC6A3 1060/4885
US-20020151503-A1 Methods of cancer treatment using naaladase inhibitors NAALAD2, DNPEP, ACP3 HPGD 423/4885GAA 80/4885SLC6A3 1361/4885

“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.