SCHEMBL7053113

SCHEMBL7053113

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

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BCHE P06276 1/20 0.32
GAA P10253 1/20 0.32
GRM8 O00222 1/20 0.32
GRM4 Q14833 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
FFAR1 O14842 1/20 0.30
TBXAS1 P24557 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
SCHEMBL7050211 0.88 SRC (0.41) LMNAALDH1A1CYP1A2CYP2C19FFAR1
SCHEMBL7055698 0.85 CYP1A2 (0.33) BCHEGRM8GRM4ALDH1A1CYP1A2
SCHEMBL7052422 0.74 NAPRT (0.34) LMNAHTTSMN1; SMN2BCHEGAA
SCHEMBL7050154 0.74 CYP1A2 (0.37) BCHEGAAGRM8GRM4ALDH1A1
SCHEMBL7053699 0.73 NAPRT (0.35) LMNAHTTSMN1; SMN2BCHEGAA
SCHEMBL7048106 0.73 NAPRT (0.35) BCHEGAAGRM8GRM4CYP1A2
SCHEMBL7053428 0.72 SRC (0.42) LMNAALDH1A1CYP1A2CYP2C19FFAR1
SCHEMBL7053138 0.72 CA2 (0.33) LMNABCHEGRM8GRM4ALDH1A1
SCHEMBL7053493 0.71 CPA3 (0.51) CYP1A2FFAR1
SCHEMBL7053875 0.70 ITGB3 (0.38) LMNAALDH1A1CYP1A2CYP2C9CYP2C19

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 LMNA 4026/4885HTT 4069/4885SMN1; SMN2 3612/4885

“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.