SCHEMBL5099581

SCHEMBL5099581

Cc1ccc(S(=O)(=O)OC(C(=N)N)C(N)Nc2ccc(C(F)(F)F)cn2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
GAA P10253 2/20 0.38
POLB P06746 2/20 0.38
CCR6 P51684 6/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
CCR7 P32248 2/20 0.35
PTGS1 P23219 1/20 0.35
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
NPY5R Q15761 1/20 0.33
XPO1 O14980 1/20 0.33
HCRTR1 O43613 1/20 0.33

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
SCHEMBL5094693 0.82 RAB9A (0.43) ALDH1A1GAACCR6MEN1KMT2A
SCHEMBL5094494 0.81 KDM4E (0.42) ALDH1A1GAAPOLBMEN1KMT2A
SCHEMBL6086161 0.77 PKM (0.33) ALDH1A1PKMPOLBCCR6MEN1
SCHEMBL5095054 0.76 KDM4E (0.49) ALDH1A1PKMGAATDP1HCRTR1
SCHEMBL5095223 0.74 TAAR1 (0.34) ALDH1A1MEN1KMT2ABCHEACHE
SCHEMBL6087081 0.74 ALDH1A1 (0.34) ALDH1A1KMT2A
SCHEMBL14653780 0.69 ALDH1A1 (0.46) ALDH1A1PKMPOLBMEN1KMT2A
SCHEMBL6085307 0.68 SMN1; SMN2 (0.41) ALDH1A1TDP1
SCHEMBL5092352 0.67 RAB9A (0.41) ALDH1A1GAACCR6MEN1KMT2A
SCHEMBL5093286 0.66 PTGS2 (0.38) ALDH1A1PKMGAAKMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7425557-B2 Inhibitors of glycogen synthase kinase 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-16 US disclosed
US-7045519-B2 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-05-16 US disclosed
US-7037918-B2 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-05-02 US disclosed
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-04-27 US disclosed
EP-1087963-B1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORP (US) 2004-08-25 EP disclosed
US-20030130289-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2003-07-10 US disclosed
EP-1317433-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2003-06-11 EP disclosed
US-6489344-B1 FOR TREATMENT DIABETES IN A HUMAN OR ANIMAL SUBJECT CHIRON CORPORATION 2002-12-03 US disclosed
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2002-10-24 US disclosed
US-6417185-B1 HETEROCYCLIC ENZYME INHIBITORS CHIRON CORPORATION 2002-07-09 US disclosed
WO-2002020495-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2002-03-14 WO disclosed
EP-1087963-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 Chiron Corporation (US) 2001-04-04 EP disclosed
WO-1999065897-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 1999-12-23 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 (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-20030130289-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB ALDH1A1 3522/4885PKM 369/4885GAA 954/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB ALDH1A1 3532/4885PKM 356/4885GAA 937/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB ALDH1A1 3532/4885PKM 356/4885GAA 937/4885

“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.