SCHEMBL5094455

SCHEMBL5094455

COC(=S)C(C)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
PTGS2 P35354 2/20 0.41
PTGS1 P23219 1/20 0.41
MIF P14174 2/20 0.41
ADRA2C P18825 2/20 0.41
CHRM2 P08172 1/20 0.41
ADRA1A P35348 1/20 0.41
RGS12 O14924 1/20 0.41
GLA P06280 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
ALOX12 P18054 1/20 0.41
NFKB1 P19838 1/20 0.41
HTR2A P28223 1/20 0.41
CYP2C19 P33261 1/20 0.41
THPO P40225 1/20 0.41

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
SCHEMBL9098391 1.00 KMT2A (0.45) KMT2APTGS2PTGS1MIFADRA2C
SCHEMBL5565864 0.80 KMT2A (0.47) KMT2ATSHRMEN1LMNAL3MBTL1
SCHEMBL27622910 0.79 L3MBTL1 (0.43) KMT2APTGS2PTGS1MIFADRA2C
SCHEMBL24017901 0.79 PTGS1 (0.74) KMT2APTGS2PTGS1CYP3A4CYP2D6
SCHEMBL24445379 0.78 LMNA (0.46) KMT2AADRA2CCHRM2ADRA1ARGS12
SCHEMBL6829889 0.78 LMNA (0.46) KMT2AADRA2CCHRM2ADRA1ARGS12
SCHEMBL9748526 0.78 MMP8 (0.44) CYP3A4CYP2C9TSHRCYP2C19LMNA
SCHEMBL7356816 0.78 RIPK1 (0.40) PTGS2MIFADRA2CLMNAL3MBTL1
SCHEMBL30421316 0.77 ALDH1A1 (0.47) KMT2ACYP3A4CYP2C9CYP2C19GPR88
SCHEMBL7309316 0.77 KMT2A (0.44) KMT2APTGS2PTGS1MIFADRA2C

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
CN-114341637-A Immunosensor 联邦科学工业研究组织 2022-04-12 CN disclosed
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
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 KMT2A 3490/4885PTGS2 2798/4885PTGS1 1461/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB KMT2A 3652/4885PTGS2 2821/4885PTGS1 1482/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB KMT2A 3652/4885PTGS2 2821/4885PTGS1 1482/4885

“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.