Sugi Predict

Sugi Predict / Compounds / SCHEMBL12353545

SCHEMBL12353545

SCHEMBL12353545

COc1c(C)cnc(C[S+]([O-])c2nc3cc(CO)ccc3n2S(=O)(=O)c2ccc(OCC(=O)O)cc2)c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 6/20 0.37
▸ PSEN2 P49810 6/20 0.37
▸ APH1B Q8WW43 6/20 0.37
▸ NCSTN Q92542 6/20 0.37
▸ APH1A Q96BI3 6/20 0.37
▸ PSENEN Q9NZ42 6/20 0.37
▸ CYP2C9 P11712 2/20 0.35
▸ PTGDR Q13258 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ ALDH1A1 P00352 4/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ HTT P42858 3/20 0.32
▸ WDR5 P61964 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ ATP1A1 P05023 2/20 0.32
▸ ATP1B1 P05026 2/20 0.32
▸ ATP1A3 P13637 2/20 0.32
▸ ATP1B2 P14415 2/20 0.32
▸ ATP4A P20648 2/20 0.32
▸ ATP1A2 P50993 2/20 0.32

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
SCHEMBL12353554 0.93 CYP2C9 (0.35) CYP2C9ALDH1A1KMT2AHTTWDR5
Agn-201904 SCHEMBL29596867 0.92 CYP2C9 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
Agn-201904 SCHEMBL5764653 0.92 CYP2C9 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
Agn-201904 SCHEMBL5330690 0.92 CYP2C9 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
Agn-201904 SCHEMBL2245875 0.92 CYP2C9 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
Agn-201904 SCHEMBL5764638 0.92 CYP2C9 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL19795374 0.92 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13053500 0.88 ALDH1A1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5763595 0.88 CYP2C9 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5332714 0.88 CYP2C9 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A

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-20110207780-A1 Therapeutic Salt Compositions and Methods RUBINO MARK P 2011-08-25 — — US disclosed
US-20110207780-A1 Therapeutic Salt Compositions and Methods RUBINO MARK P 2011-08-25 — — US disclosed
US-20100204279-A1 Therapeutic Salt Compositions and Methods RUBINO MARK P 2010-08-12 — — US disclosed
US-20100160380-A1 Therapeutic Salt Compositions and Methods RUBINO MARK P 2010-06-24 — — US disclosed
US-20070265311-A1 Therapeutic Salt Compositions and Methods ALEVIUM PHARMACEUTICALS, INC. 2007-11-15 — — US disclosed
US-20070265311-A1 Therapeutic Salt Compositions and Methods ALEVIUM PHARMACEUTICALS, INC. 2007-11-15 — — US disclosed
US-20070254923-A1 THERAPEUTIC SALT COMPOSITIONS AND METHODS ALEVIUM PHARMACEUTICALS, INC. 2007-11-01 — — 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 (5 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-20110207780-A1 Therapeutic Salt Compositions and Methods ASAH2, REN, ACER2 PSEN1 2382/4885PSEN2 1865/4885APH1B 4518/4885
US-20070265311-A1 Therapeutic Salt Compositions and Methods ASAH2, REN, ACER2 PSEN1 2382/4885PSEN2 1865/4885APH1B 4518/4885
US-20100160380-A1 Therapeutic Salt Compositions and Methods ASAH2, REN, ACER2 PSEN1 2382/4885PSEN2 1865/4885APH1B 4518/4885
US-20100204279-A1 Therapeutic Salt Compositions and Methods ASAH2, REN, ACER2 PSEN1 2382/4885PSEN2 1865/4885APH1B 4518/4885
US-20070254923-A1 THERAPEUTIC SALT COMPOSITIONS AND METHODS ASAH2, REN, ACER2 PSEN1 2382/4885PSEN2 1865/4885APH1B 4518/4885

“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.