SCHEMBL7050280

SCHEMBL7050280

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPA3 P15088 1/20 0.44
FFAR1 O14842 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 2/20 0.40
NAALAD2 Q9Y3Q0 2/20 0.38
FOLH1 Q04609 2/20 0.38
BCHE P06276 1/20 0.37
ERAP2 Q6P179 2/20 0.36
ERAP1 Q9NZ08 2/20 0.36
ANPEP P15144 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MMP12 P39900 1/20 0.35
MMP13 P45452 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
NAPRT Q6XQN6 1/20 0.35
SLC1A3 P43003 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
SCHEMBL7051914 0.86 CPA3 (0.60) CPA3FFAR1NAALAD2FOLH1CYP1A2
SCHEMBL7609056 0.77 CPA3 (0.53) CPA3FFAR1NAALAD2FOLH1ERAP2
SCHEMBL7051603 0.75 CPA3 (0.41) CPA3FFAR1ALDH1A1CYP3A4NAALAD2
SCHEMBL5053294 0.75 ACE (0.46) ALDH1A1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL7052531 0.74 CPB2 (0.57) ALDH1A1CYP3A4CYP2C9LMNASLC1A3
SCHEMBL288821 0.74 FFAR1 (0.45) CPA3FFAR1ALDH1A1CYP3A4BCHE
SCHEMBL7050992 0.74 CYP1A2 (0.36) CPA3FFAR1FOLH1BCHECYP1A2
SCHEMBL7053699 0.71 NAPRT (0.35) FFAR1FOLH1BCHECYP1A2CYP2C9
SCHEMBL7615307 0.71 BCHE (0.36) CPA3FFAR1ALDH1A1NAALAD2FOLH1
SCHEMBL333186 0.70 FFAR1 (0.70) FFAR1ALDH1A1BCHELMNA

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 3784/4885ALDH1A1 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.