SCHEMBL20339802

SCHEMBL20339802

Cc1ccccc1CN1C(=O)CSC1=S

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 8/20 0.63
GSK3A P49840 7/20 0.63
PTGS1 P23219 1/20 0.53
PTGS2 P35354 1/20 0.53
KMT2A Q03164 7/20 0.51
MAPT P10636 6/20 0.51
MEN1 O00255 5/20 0.51
GAA P10253 4/20 0.51
ALDH1A1 P00352 4/20 0.51
THRB P10828 3/20 0.51
HTT P42858 2/20 0.51
RECQL P46063 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51
ALOX15 P16050 1/20 0.51
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 1/20 0.51
BLM P54132 1/20 0.50
POLB P06746 2/20 0.49

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
SCHEMBL20339642 0.88 GSK3A (0.56) GSK3BGSK3APTGS1PTGS2KMT2A
SCHEMBL20339708 0.82 GSK3A (0.52) GSK3BGSK3AKMT2AMAPTMEN1
SCHEMBL20339669 0.82 GSK3A (0.68) GSK3BGSK3AKMT2AMAPTMEN1
SCHEMBL20339364 0.81 GSK3A (0.59) GSK3BGSK3AKMT2AMAPTMEN1
SCHEMBL6738879 0.78 GSK3A (0.58) GSK3BGSK3AKMT2AMAPTMEN1
SCHEMBL28912675 0.75 PTGS1 (0.65) GSK3BPTGS1PTGS2KMT2AMAPT
SCHEMBL4399435 0.75 GSK3A (0.71) GSK3BGSK3AKMT2AMAPTMEN1
SCHEMBL20339339 0.75 GSK3A (0.62) GSK3BGSK3AKMT2AMAPTMEN1
SCHEMBL8593685 0.74 GSK3A (0.47) GSK3BGSK3AKMT2AMAPTMEN1
SCHEMBL20339310 0.74 GSK3A (0.68) GSK3BGSK3AKMT2AMAPTMEN1

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 GSK3B 2807/4885GSK3A 2812/4885PTGS1 2058/4885

“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.