Sugi Predict

Sugi Predict / Compounds / SCHEMBL239158

SCHEMBL239158

SCHEMBL239158

NCCc1cn(CC(=O)OC2CCCCC2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CPB2 Q96IY4 5/20 0.43
▸ CPB1 P15086 2/20 0.43
▸ CYP19A1 P11511 2/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ LMNA P02545 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ MAPK1 P28482 2/20 0.37
▸ TSHR P16473 3/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ MTOR P42345 1/20 0.37
▸ HRH4 Q9H3N8 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ MAPT P10636 3/20 0.36
▸ HTT P42858 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ TPSAB1 Q15661 2/20 0.36
▸ TPSD1 Q9BZJ3 2/20 0.36
▸ TPSG1 Q9NRR2 2/20 0.36
▸ USP2 O75604 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
Sulfuric Acid SCHEMBL243166 0.96 CPB2 (0.41) CPB2CPB1CYP19A1ALDH1A1LMNA
SCHEMBL27747749 0.77 CYP2C9 (0.47) CPB2CPB1TSHRCYP2C19CYP2C9
Sulfuric Acid SCHEMBL242791 0.75 CYP2C9 (0.43) CPB2CPB1RAB9ATSHRCYP2C19
SCHEMBL239541 0.73 CYP2C9 (0.49) CPB2CPB1ALDH1A1TSHRCYP2C19
Hydrochloric Acid SCHEMBL9803746 0.72 TDP1 (0.50) CPB2CPB1ALDH1A1TSHRCYP2C19
SCHEMBL28875894 0.70 CYP2C9 (0.55) CPB2CPB1TSHRCYP2C19CYP2C9
SCHEMBL20389632 0.67 CXCR4 (0.43) CPB2CPB1TSHRCYP2C19CYP2C9
SCHEMBL20408331 0.67 CPB2 (0.49) CPB2CPB1LMNATSHRCYP2C19
Oxalic Acid SCHEMBL4079200 0.65 CPB2 (0.56) CPB2CPB1TSHRCYP2C19CYP2C9
SCHEMBL4642740 0.65 NAAA (0.58) CYP19A1ALDH1A1LMNARAB9ATSHR

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318750-B2 Organic compounds NOVARTIS AG (NL) 2012-11-27 — — US disclosed
US-8258141-B2 Organic compounds NOVARTIS AG (CH) 2012-09-04 — — US disclosed
EP-2013211-B1 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2012-03-14 — — EP disclosed
US-20120004247-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 — — US disclosed
US-20120004212-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 — — US disclosed
EP-2322525-A1 Purine derivatives for use as adenosin A2A receptor agonists Novartis AG (CH) 2011-05-18 — — EP disclosed
US-20100286126-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-11 — — 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 (3 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-20100286126-A1 Organic Compounds CYP3A43, SLCO1B3, CYP2C19 CPB2 3120/4885CPB1 3681/4885CYP19A1 63/4885
US-20120004212-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 CPB2 3120/4885CPB1 3681/4885CYP19A1 63/4885
US-20120004247-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 CPB2 3120/4885CPB1 3681/4885CYP19A1 63/4885

“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.