SCHEMBL20339339

SCHEMBL20339339

Cc1ccc(CN2C(=O)CSC2=S)cc1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 7/20 0.62
GSK3B P49841 7/20 0.62
KMT2A Q03164 8/20 0.58
ALDH1A1 P00352 5/20 0.58
MEN1 O00255 4/20 0.58
GAA P10253 3/20 0.58
MAPT P10636 3/20 0.58
RECQL P46063 3/20 0.58
THRB P10828 2/20 0.58
HTT P42858 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
POLB P06746 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
LMNA P02545 1/20 0.53
TP53 P04637 1/20 0.53
ALOX15 P16050 1/20 0.53
MAPK1 P28482 1/20 0.53
HSD17B10 Q99714 1/20 0.53
PAX8 Q06710 1/20 0.49
PIK3CG P48736 1/20 0.43

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
SCHEMBL4399435 0.83 GSK3A (0.71) GSK3AGSK3BKMT2AALDH1A1MEN1
SCHEMBL20339310 0.81 GSK3A (0.68) GSK3AGSK3BKMT2AALDH1A1MEN1
SCHEMBL5468446 0.79 KMT2A (0.68) GSK3AGSK3BKMT2AALDH1A1MEN1
SCHEMBL4405452 0.79 PAX8 (0.77) GSK3AGSK3BKMT2AALDH1A1MEN1
SCHEMBL20339365 0.78 GSK3A (0.73) GSK3AGSK3BKMT2AALDH1A1MEN1
SCHEMBL1520960 0.78 GSK3A (0.68) GSK3AGSK3BKMT2AALDH1A1MEN1
SCHEMBL20339366 0.77 GSK3A (0.71) GSK3AGSK3BKMT2AALDH1A1MEN1
SCHEMBL20339372 0.77 GSK3A (1.00) GSK3AGSK3BKMT2AALDH1A1MEN1
SCHEMBL20339824 0.77 GSK3A (0.66) GSK3AGSK3BKMT2AALDH1A1MEN1
SCHEMBL1520611 0.76 GSK3A (1.00) GSK3AGSK3BKMT2AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200123146-A1 HETEROCYCLIC INTEGRIN AGONISTS GB006 INC (US) 2020-04-23 US disclosed
US-20200123146-A1 HETEROCYCLIC INTEGRIN AGONISTS GB006 INC (US) 2020-04-23 US disclosed
WO-2018126072-A1 HETEROCYCLIC INTEGRIN AGONISTS ADHAERE PHARMACEUTICALS, INC. (US) 2018-07-05 WO disclosed
WO-2018126072-A1 HETEROCYCLIC INTEGRIN AGONISTS ADHAERE PHARMACEUTICALS, INC. (US) 2018-07-05 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 (1 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-20200123146-A1 HETEROCYCLIC INTEGRIN AGONISTS ITGA1, ITGA4, ITGA2 GSK3A 2812/4885GSK3B 2807/4885KMT2A 2000/4885

“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.