SCHEMBL7052422

SCHEMBL7052422

CCS(=O)(=O)CC(c1ccncc1)C(CCC(=O)O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.34
KCNA5 P22460 2/20 0.33
BCHE P06276 1/20 0.33
CA2 P00918 3/20 0.33
CA1 P00915 2/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
GRM8 O00222 1/20 0.33
GRM4 Q14833 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 1/20 0.32
EPHX2 P34913 1/20 0.32
NAMPT P43490 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FFAR1 O14842 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL7053138 0.91 CA2 (0.33) NAPRTKCNA5BCHECA2CA1
SCHEMBL7053875 0.89 ITGB3 (0.38) CA2CA1CA12CA9CYP1A2
SCHEMBL7048106 0.88 NAPRT (0.35) NAPRTKCNA5BCHECA2CA1
SCHEMBL7048024 0.88 NAALAD2 (0.39) CA2CA1CA12CA9CYP1A2
SCHEMBL7050154 0.86 CYP1A2 (0.37) NAPRTKCNA5BCHECA2CA1
SCHEMBL7053699 0.80 NAPRT (0.35) NAPRTKCNA5BCHEGRM8GRM4
SCHEMBL7050298 0.79 NAALAD2 (0.36) KCNA5CA2CA1CA12CA9
SCHEMBL7050924 0.77 POLB (0.39) MMP9MMP8MMP13
SCHEMBL7053788 0.75 NAALAD2 (0.40) CA2CA1CYP1A2CYP2C19ALDH1A1
SCHEMBL7052342 0.75 NAPRT (0.35) NAPRTKCNA5BCHEGRM8GRM4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6395718-B1 RHEUMATIC DISEASES; ANTIARTHRITIC AGENTS; CARDIOVASCULAR DISORDERS GUILFORD PHARMACEUTICALS INC. 2002-05-28 US claimed
US-20030064912-A1 Pharmaceutical compositions and methods of inhibiting angiogenesis using NAALADase inhibitors SLUSHER BARBARA S (US) 2003-04-03 US disclosed
US-6395718-B1 RHEUMATIC DISEASES; ANTIARTHRITIC AGENTS; CARDIOVASCULAR DISORDERS GUILFORD PHARMACEUTICALS INC. 2002-05-28 US disclosed
US-6265609-B1 INHIBIT N-ACETYLATED .ALPHA.-LINKED ACIDIC DIPEPTIDASE (NAALADASE) ENZYME ACTIVITY; IN DRUGS TO TREAT GLUTAMATE ABNORMALITIES; COMPULSIVE DISORDERS AND PROSTATE DISEASES, TO EFFECT NEURONAL ACTIVITIES GUILFORD PHARMACEUTICALS INC. 2001-07-24 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-20030064912-A1 Pharmaceutical compositions and methods of inhibiting angiogenesis using NAALADase inhibitors NAALAD2, DNPEP, DPP9 NAPRT 124/4885KCNA5 4831/4885BCHE 730/4885

“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.