Sugi Predict

Sugi Predict / Compounds / SCHEMBL7051349

SCHEMBL7051349

SCHEMBL7051349

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.41
▸ GABRP O00591 2/20 0.37
▸ GABRD O14764 2/20 0.37
▸ GABRA1 P14867 2/20 0.37
▸ GABRB1 P18505 2/20 0.37
▸ GABRG2 P18507 2/20 0.37
▸ GABRB3 P28472 2/20 0.37
▸ GABRA5 P31644 2/20 0.37
▸ GABRA3 P34903 2/20 0.37
▸ GABRA2 P47869 2/20 0.37
▸ GABRB2 P47870 2/20 0.37
▸ GABRA4 P48169 2/20 0.37
▸ GABRE P78334 2/20 0.37
▸ GABRA6 Q16445 2/20 0.37
▸ GABRG1 Q8N1C3 2/20 0.37
▸ GABRG3 Q99928 2/20 0.37
▸ GABRQ Q9UN88 2/20 0.37
▸ TET2 Q6N021 3/20 0.34
▸ KDM4A O75164 2/20 0.34
▸ KDM4C Q9H3R0 2/20 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
SCHEMBL7048249 0.89 CYP1A2 (0.40) CYP1A2GABRPGABRDGABRA1GABRB1
SCHEMBL7053497 0.86 PLA2G2C (0.40) CYP1A2TDP1PLA2G10
SCHEMBL7049026 0.84 CYP1A2 (0.45) CYP1A2GABRPGABRDGABRA1GABRB1
SCHEMBL7054402 0.77 FOLH1 (0.45) CYP1A2GABRPGABRDGABRA1GABRB1
SCHEMBL27613174 0.72 CYP1A2 (0.52) CYP1A2GABRPGABRDGABRA1GABRB1
SCHEMBL6380607 0.72 CYP1A2 (0.50) CYP1A2GABRPGABRDGABRA1GABRB1
SCHEMBL7049858 0.71 CYP1A2 (0.38) CYP1A2GABRPGABRDGABRA1GABRB1
SCHEMBL7053428 0.71 SRC (0.42) CYP1A2TDP1
SCHEMBL9540347 0.70 CYP1A2 (0.48) CYP1A2GABRPGABRDGABRA1GABRB1
SCHEMBL7312929 0.69 CYP1A2 (0.58) CYP1A2GABRPGABRDGABRA1GABRB1

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 5 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-6458775-B1 N-ACETYLATED .ALPHA.-LINKED ACIDIC DIPEPTIDASE (NAALADASE) INHIBITORS ENZYME ACTIVITY, PHARMACEUTICAL COMPOSITIONS COMPRISING SUCH INHIBITORS, AND METHODS OF THEIR USE TO INHIBIT NAALADASE ENZYME ACTIVITY, THEREBY EFFECTING NEURONAL GUILFORD PHARMACEUTICAL INC. 2002-10-01 — — 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 CYP1A2 4200/4885GABRP 3173/4885GABRD 3114/4885

“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.