SCHEMBL7051603

SCHEMBL7051603

O=C(O)CCC(OC(S)Cc1ccncc1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CPA3 P15088 1/20 0.41
FFAR1 O14842 1/20 0.38
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
MAOB P27338 1/20 0.38
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP19A1 P11511 2/20 0.37
ACE P12821 1/20 0.37
NAALAD2 Q9Y3Q0 2/20 0.36
SRR Q9GZT4 2/20 0.36
FOLH1 Q04609 1/20 0.35
BCHE P06276 1/20 0.35
CHRM1 P11229 1/20 0.34

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
SCHEMBL7054224 0.87 CPA3 (0.55) CPA3ACENAALAD2SRRFOLH1
SCHEMBL7049052 0.77 FOLH1 (0.35) FFAR1USP2TSHRCYP19A1FOLH1
SCHEMBL7047144 0.76 LMNA (0.34) USP2TSHRALDH1A1FOLH1BCHE
SCHEMBL7050280 0.75 CPA3 (0.44) CPA3FFAR1ALDH1A1CYP3A4NAALAD2
SCHEMBL28617085 0.75 BCHE (0.38) CPA3FFAR1USP2TSHRALDH1A1
SCHEMBL7609056 0.73 CPA3 (0.53) CPA3FFAR1ACENAALAD2FOLH1
SCHEMBL7052221 0.72 FOLH1 (0.35) CPA3FFAR1USP2TSHRALDH1A1
SCHEMBL7049737 0.72 KIF11 (0.33) CPA3FFAR1USP2TSHRALDH1A1
SCHEMBL7048114 0.72 FOLH1 (0.47) FOLH1
SCHEMBL1373610 0.71 FOLH1 (0.40) USP2TSHRALDH1A1FOLH1

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 CPA3 193/4885FFAR1 3784/4885USP2 536/4885

“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.