SCHEMBL7606722

SCHEMBL7606722

O=C(O)CCCC(CP(=O)(O)Cc1ccccc1)c1cccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 5/20 0.47
CTSG P08311 1/20 0.42
CMA1 P23946 1/20 0.42
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
FOLH1 Q04609 1/20 0.39

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
SCHEMBL5051151 0.81 HDAC3 (0.42) ACP3FOLH1
SCHEMBL7614373 0.81 ACP3 (0.55) ACP3CTSGCMA1CYP1A2CYP2D6
SCHEMBL5053083 0.81 HDAC3 (0.44) CYP1A2CYP2D6CYP2C19
SCHEMBL7610429 0.79 CYP1A2 (0.45) CYP1A2CYP2D6
SCHEMBL7604399 0.79 ACP3 (0.47) ACP3CTSGCMA1
SCHEMBL7608135 0.78 ACP3 (0.57) ACP3CTSGCMA1
SCHEMBL7603989 0.77 ACP3 (0.45) ACP3CTSGCMA1CYP1A2CYP2D6
SCHEMBL5051342 0.76 FOLH1 (0.59) FOLH1
SCHEMBL5054591 0.75 ACP3 (0.48) ACP3CTSGCMA1CYP2C19FOLH1
SCHEMBL7603993 0.75 ACP3 (0.48) ACP3CTSGCMA1

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-20020151503-A1 Methods of cancer treatment using naaladase inhibitors SLUSHER BARBARA S (US) 2002-10-17 US claimed
US-6046180-A NAALADase inhibitors GUILFORD PHARMACEUTICALS INC. (US) 2000-04-04 US claimed
US-20020151503-A1 Methods of cancer treatment using naaladase inhibitors SLUSHER BARBARA S (US) 2002-10-17 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
US-6011021-A GLUTAMATE-DERIVED HYDROXYPHOSPHINYL DERIVATIVE. GUILFORD PHARMACEUTICALS INC. (US) 2000-01-04 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 (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-20020151503-A1 Methods of cancer treatment using naaladase inhibitors NAALAD2, DNPEP, ACP3 ACP3 3/4885CTSG 946/4885CMA1 941/4885

“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.