SCHEMBL7608842

SCHEMBL7608842

CC(c1ccc2ccccc2c1)C(CP(=O)(O)Cc1ccccc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
CYP2D6 P10635 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
UTS2R Q9UKP6 2/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
PIN1 Q13526 1/20 0.41
UGT2B7 P16662 1/20 0.40
MMP1 P03956 2/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
CYP1A2 P05177 1/20 0.39
TSHR P16473 1/20 0.39
HIF1A Q16665 1/20 0.39
ECE1 P42892 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
SCHEMBL5134276 0.86 MMP1 (0.44) MEN1CYP2D6KMT2ACYP2C9CYP2C19
SCHEMBL7611043 0.82 PIN1 (0.44) MEN1CYP2D6KMT2ACYP2C9CYP2C19
SCHEMBL7610433 0.81 MMP1 (0.45) MEN1CYP2D6KMT2ACYP2C9CYP2C19
SCHEMBL7607408 0.81 CYP2D6 (0.42) MEN1CYP2D6KMT2ACYP2C9CYP2C19
SCHEMBL7614441 0.80 MMP1 (0.41) MEN1CYP2D6KMT2ACYP2C9CYP2C19
SCHEMBL5051252 0.78 MMP1 (0.39) MEN1CYP2D6KMT2ACYP2C9CYP2C19
SCHEMBL7614364 0.78 ACP3 (0.49) MMP1ECE1
SCHEMBL5053036 0.77 L3MBTL1 (0.43)
SCHEMBL7616172 0.77 AKR1C3 (0.42) MEN1CYP2D6KMT2ACYP2C9CYP2C19
SCHEMBL5057926 0.76 UGT2B7 (0.43) MEN1CYP2D6KMT2ACYP2C9CYP2C19

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 MEN1 1872/4885CYP2D6 3737/4885KMT2A 1200/4885

“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.