Sugi Predict

Sugi Predict / Compounds / SCHEMBL12353554

SCHEMBL12353554

SCHEMBL12353554

COC(=O)COc1ccc(S(=O)(=O)n2c([S+]([O-])Cc3ncc(C)c(OC)c3C)nc3cc(CO)ccc32)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 3/20 0.35
▸ ALDH1A1 P00352 5/20 0.33
▸ SMN1; SMN2 Q16637 4/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ TSHR P16473 3/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ GLA P06280 1/20 0.32
▸ ENPP2 Q13822 2/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ HTT P42858 3/20 0.32
▸ WDR5 P61964 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
▸ ATP4B P51164 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
SCHEMBL12353545 0.93 PSEN1 (0.37) CYP2C9ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL14495756 0.93 CYP2C9 (0.40) CYP2C9ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL5368641 0.93 CYP2C9 (0.40) CYP2C9ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL14495759 0.88 CYP2C9 (0.42) CYP2C9ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL5370630 0.88 CYP2C9 (0.42) CYP2C9ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL14356226 0.86 CYP2C9 (0.40) CYP2C9ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL12353538 0.86 CYP2C9 (0.41) CYP2C9ALDH1A1SMN1; SMN2LMNAMAPT
Agn-201904 SCHEMBL5330690 0.86 CYP2C9 (0.41) CYP2C9ALDH1A1SMN1; SMN2LMNAMAPT
Agn-201904 SCHEMBL29596867 0.86 CYP2C9 (0.41) CYP2C9ALDH1A1SMN1; SMN2LMNAMAPT
Agn-201904 SCHEMBL2510925 0.86 CYP2C9 (0.41) CYP2C9ALDH1A1SMN1; SMN2LMNAMAPT

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 CYP2C9 4227/4885ALDH1A1 2832/4885SMN1; SMN2 495/4885
US-20070265311-A1 Therapeutic Salt Compositions and Methods ASAH2, REN, ACER2 CYP2C9 4227/4885ALDH1A1 2832/4885SMN1; SMN2 495/4885
US-20100160380-A1 Therapeutic Salt Compositions and Methods ASAH2, REN, ACER2 CYP2C9 4227/4885ALDH1A1 2832/4885SMN1; SMN2 495/4885
US-20100204279-A1 Therapeutic Salt Compositions and Methods ASAH2, REN, ACER2 CYP2C9 4227/4885ALDH1A1 2832/4885SMN1; SMN2 495/4885
US-20070254923-A1 THERAPEUTIC SALT COMPOSITIONS AND METHODS ASAH2, REN, ACER2 CYP2C9 4227/4885ALDH1A1 2832/4885SMN1; SMN2 495/4885

“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.