SCHEMBL7051893

SCHEMBL7051893

CCC(c1ccccc1)C(S)C(CCC(=O)O)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.40
NAALAD2 Q9Y3Q0 1/20 0.40
CPA3 P15088 1/20 0.40
HKDC1 Q2TB90 1/20 0.40
MME P08473 2/20 0.39
HSD17B10 Q99714 3/20 0.37
LMNA P02545 3/20 0.37
FOLH1 Q04609 1/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP1A2 P05177 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
GLA P06280 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36

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
SCHEMBL7053699 0.87 NAPRT (0.35) ACELMNAFOLH1CYP1A2CYP2C19
SCHEMBL7049937 0.82 MME (0.44) NAALAD2CPA3MMECYP1A2
SCHEMBL7048024 0.78 NAALAD2 (0.39) NAALAD2CPA3HKDC1HSD17B10LMNA
SCHEMBL7047111 0.78 NAALAD2 (0.39) NAALAD2CPA3HKDC1MMEHSD17B10
SCHEMBL7053788 0.77 NAALAD2 (0.40) NAALAD2CPA3HSD17B10FOLH1ALDH1A1
SCHEMBL7053888 0.77 NAALAD2 (0.40) NAALAD2CPA3HSD17B10ALDH1A1CYP2D6
SCHEMBL28378824 0.76 HKDC1 (0.45) NAALAD2CPA3HKDC1HSD17B10LMNA
SCHEMBL1083717 0.76 HKDC1 (0.50) HKDC1MMEHSD17B10LMNACYP2D6
SCHEMBL7050298 0.75 NAALAD2 (0.36) NAALAD2CPA3HKDC1HSD17B10LMNA
SCHEMBL14360044 0.75 TBXAS1 (0.46) NAALAD2CPA3HSD17B10LMNAALDH1A1

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 ACE 100/4885NAALAD2 1/4885CPA3 193/4885

“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.