Sugi Predict

Sugi Predict / Compounds / SCHEMBL10073652

SCHEMBL10073652

SCHEMBL10073652

C[C@@H](O)[C@@H](CO)NS(=O)(=O)c1n[nH]c2ncccc12

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.33
▸ GSK3A P49840 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ IKBKB O14920 2/20 0.32
▸ CHUK O15111 2/20 0.32
▸ TRPV3 Q8NET8 1/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ FTO Q9C0B1 1/20 0.32
▸ ALOX5AP P20292 4/20 0.32
▸ FEN1 P39748 4/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ NR3C1 P04150 3/20 0.31
▸ MAPT P10636 1/20 0.31

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
SCHEMBL10073639 0.81 MET (0.33) ALDH1A1GSK3AGSK3BFTONR3C1
SCHEMBL10073159 0.80 ALDH1A1 (0.35) ALDH1A1GSK3AGSK3BFTONR3C1
SCHEMBL10073459 0.79 SMN1; SMN2 (0.36) ALDH1A1CYP2C19NR3C1
SCHEMBL10073848 0.78 KMT2A (0.35) MAPT
SCHEMBL10073162 0.78 NR3C1 (0.42) ALDH1A1GSK3BCYP2C19ALOX5APFEN1
SCHEMBL10072941 0.77 MAPK1 (0.39) GSK3AGSK3BALOX5APFEN1CYP3A4
SCHEMBL10073849 0.76 NR3C1 (0.36) ALDH1A1GSK3AGSK3BNR3C1MAPT
SCHEMBL10072910 0.75 ALOX5AP (0.36) ALDH1A1GSK3AGSK3BFTOALOX5AP
SCHEMBL10072894 0.75 AOC3 (0.36) ALDH1A1MAPT
SCHEMBL10072917 0.74 GCK (0.36) ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445681-B2 Azaindazoles useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-21 — — US disclosed
EP-2514751-A1 Azaindazoles useful as inhibitor of kinases Vertex Pharmaceuticals, Inc. (US) 2012-10-24 — — EP disclosed
US-20120165367-A1 AZAINDAZOLES USEFUL AS INHIBITORS OF KINASES VERTEX PHARMACEUTICALS INCORPORATED 2012-06-28 — — US disclosed
US-8017781-B2 Azaindazoles useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-13 — — US disclosed
US-8017781-B2 Azaindazoles useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-13 — — US disclosed
US-20070179177-A1 Azaindazoles useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 — — US disclosed
US-20070179177-A1 Azaindazoles useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 — — US disclosed
WO-2007059219-A1 AZAINDAZOLES USEFUL AS INHIBITORS OF KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-05-24 — — WO 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 (2 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-20070179177-A1 Azaindazoles useful as inhibitors of kinases PRKDC, MAP3K20, PRKACA ALDH1A1 3237/4885GSK3A 188/4885GSK3B 237/4885
US-20120165367-A1 AZAINDAZOLES USEFUL AS INHIBITORS OF KINASES PRKDC, MAP3K20, PRKACA ALDH1A1 3237/4885GSK3A 188/4885GSK3B 237/4885

“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.