SCHEMBL20339366

SCHEMBL20339366

O=C1CSC(=S)N1Cc1ccc(F)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 7/20 0.71
GSK3B P49841 7/20 0.71
MEN1 O00255 6/20 0.67
KMT2A Q03164 6/20 0.67
GAA P10253 4/20 0.67
POLB P06746 3/20 0.67
ALDH1A1 P00352 3/20 0.67
MAPT P10636 3/20 0.67
THRB P10828 2/20 0.67
HTT P42858 2/20 0.67
RECQL P46063 2/20 0.67
TDP1 Q9NUW8 2/20 0.67
L3MBTL1 Q9Y468 2/20 0.67
TSHR P16473 1/20 0.61
LMNA P02545 1/20 0.57
TP53 P04637 1/20 0.57
ALOX15 P16050 1/20 0.57
MAPK1 P28482 1/20 0.57
HSD17B10 Q99714 1/20 0.57
PAX8 Q06710 1/20 0.46

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
SCHEMBL20339365 0.85 GSK3A (0.73) GSK3AGSK3BMEN1KMT2AGAA
SCHEMBL4399435 0.84 GSK3A (0.71) GSK3AGSK3BMEN1KMT2AGAA
SCHEMBL1555025 0.83 GSK3A (0.70) GSK3AGSK3BMEN1KMT2AGAA
SCHEMBL1520611 0.83 GSK3A (1.00) GSK3AGSK3BMEN1KMT2AGAA
SCHEMBL5468543 0.83 GSK3A (0.66) GSK3AGSK3BMEN1KMT2AGAA
SCHEMBL22470011 0.82 GSK3A (0.68) GSK3AGSK3BMEN1KMT2AGAA
SCHEMBL2908429 0.80 GSK3A (0.66) GSK3AGSK3BMEN1KMT2AGAA
SCHEMBL20339824 0.80 GSK3A (0.66) GSK3AGSK3BMEN1KMT2AGAA
SCHEMBL5468446 0.80 KMT2A (0.68) GSK3AGSK3BMEN1KMT2AGAA
SCHEMBL6793399 0.80 ALDH1A1 (1.00) GSK3AGSK3BMEN1KMT2AGAA

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 2807/4885MEN1 3711/4885

“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.