SCHEMBL7052342

SCHEMBL7052342

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.35
BCHE P06276 1/20 0.34
ALDH1A1 P00352 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
LMNA P02545 1/20 0.33
GRM8 O00222 1/20 0.33
GRM4 Q14833 1/20 0.33
MMP12 P39900 1/20 0.33
MMP13 P45452 1/20 0.33
EPHX2 P34913 1/20 0.33
GAA P10253 2/20 0.32
FFAR1 O14842 1/20 0.32
KCNA5 P22460 2/20 0.32
TBXAS1 P24557 1/20 0.32
CPA3 P15088 1/20 0.31
FOLH1 Q04609 1/20 0.31
PLOD2 O00469 1/20 0.30
PLOD3 O60568 1/20 0.30

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
SCHEMBL7053888 0.87 NAALAD2 (0.40) ALDH1A1CYP1A2CYP2C19GAACPA3
SCHEMBL7615307 0.81 BCHE (0.36) NAPRTBCHEALDH1A1CYP1A2CYP2C9
SCHEMBL7053699 0.78 NAPRT (0.35) NAPRTBCHECYP1A2CYP2C9CYP2C19
SCHEMBL7050154 0.77 CYP1A2 (0.37) NAPRTBCHEALDH1A1CYP1A2CYP2C9
SCHEMBL7048106 0.76 NAPRT (0.35) NAPRTBCHECYP1A2CYP2C9CYP2C19
SCHEMBL7052422 0.75 NAPRT (0.34) NAPRTBCHEALDH1A1CYP1A2CYP2C9
SCHEMBL7050992 0.72 CYP1A2 (0.36) NAPRTBCHECYP1A2GRM8GRM4
SCHEMBL7053138 0.72 CA2 (0.33) NAPRTBCHEALDH1A1CYP1A2CYP2C9
SCHEMBL8679797 0.70 FOLH1 (0.45) BCHECYP1A2CYP2C9CYP2C19GRM8
SCHEMBL7649639 0.70 BCHE (0.40) NAPRTBCHEALDH1A1CYP1A2CYP2C9

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 124/4885BCHE 730/4885ALDH1A1 736/4885

“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.