SCHEMBL7604977

SCHEMBL7604977

O=C(O)CCC(OP(=O)(O)c1ccncc1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 6/20 0.40
GGH Q92820 1/20 0.40
GRM8 O00222 1/20 0.37
GRM4 Q14833 1/20 0.37
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
BCHE P06276 1/20 0.36
GRM3 Q14832 2/20 0.35
NAALAD2 Q9Y3Q0 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL1374791 0.87 GGH (0.52) FOLH1GGHUSP2TSHRCYP1A2
SCHEMBL7612063 0.84 GGH (0.42) FOLH1GGHGRM8GRM4
SCHEMBL5052954 0.83 GGH (0.40) FOLH1GGH
SCHEMBL1373610 0.81 FOLH1 (0.40) FOLH1GGHGRM8GRM4USP2
SCHEMBL7607703 0.79 GGH (0.39) FOLH1GGHGRM3NAALAD2
SCHEMBL7609509 0.79 ERAP2 (0.40) FOLH1GRM8GRM4USP2TSHR
SCHEMBL7609517 0.79 GRM8 (0.40) FOLH1GGHGRM8GRM4
SCHEMBL2368868 0.77 ALDH1A1 (0.35) FOLH1GRM8GRM4USP2TSHR
SCHEMBL7605889 0.77 GGH (0.43) FOLH1GGHTSHRCYP1A2CYP2C19
SCHEMBL7614354 0.76 CYP2C19 (0.40) FOLH1GGHTSHRGRM3CYP1A2

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 13 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
EP-1161223-A4 FRAGRANCE AND FLAVOR COMPOSITIONS CONTAINING ODOR NEUTRALIZING AGENTS SHAW MUDGE & COMPANY (US) 2002-07-24 EP claimed
JP-2002514157-A 2002-05-14 JP claimed
EP-1161223-A1 FRAGRANCE AND FLAVOR COMPOSITIONS CONTAINING ODOR NEUTRALIZING AGENTS Shaw Mudge & Company (US) 2001-12-12 EP claimed
WO-2000051560-A1 FRAGRANCE AND FLAVOR COMPOSITIONS CONTAINING ODOR NEUTRALIZING AGENTS SHAW MUDGE & COMPANY (US) 2000-09-08 WO claimed
EP-0957924-A4 CERTAIN PHOSPHINYL DERIVATIVES USEFUL AS NAALADASE INHIBITORS GUILFORD PHARM INC (US) 2000-04-12 EP claimed
EP-0957924-A1 CERTAIN PHOSPHINYL DERIVATIVES USEFUL AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-11-24 EP claimed
WO-1997048399-A1 CERTAIN PHOSPHINYL DERIVATIVES USEFUL AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1997-12-24 WO claimed
US-6479471-B1 NOVEL PHOSPHONATE DERIVATIVES, HYDROXYPHOSPHINYL DERIVATIVES, AND PHOSPHORAMIDATE DERIVATIVES THAT INHIBIT N-ACETYLATED .ALPHA.-LINKED ACIDIC DIPEPTIDASE (NAALADASE) ENZYME ACTIVITY TO TREAT PROSTATE DISEASES GUILFORD PHARMACEUTICALS INC. 2002-11-12 US disclosed
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-6025344-A NOVEL PHOSPHONATE DERIVATIVES, HYDROXYPHOSPHINYL DERIVATIVES, AND PHOSPHORAMIDATE DERIVATIVES THAT INHIBIT N-ACETYLATED .ALPHA.-LINKED ACIDIC DIPEPTIDASE (NAALADASE) ENZYME ACTIVITY, GUILFORD PHARMACEUTICALS INC. (US) 2000-02-15 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 FOLH1 9/4885GGH 54/4885GRM8 3437/4885

“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.