SCHEMBL1236713

SCHEMBL1236713

Cc1ncsc1-c1csc(S(=O)(=O)N2CCN(C)CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
HTT P42858 2/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL1237672 0.80 KMT2A (0.41) KMT2AHTTMAPTMEN1NPSR1
SCHEMBL1236640 0.74 PIK3CG (0.48)
SCHEMBL1237331 0.69 CA12 (0.39) KMT2AHTTMAPTMEN1NPSR1
SCHEMBL9071117 0.65 MAPT (0.53) KMT2AHTTMAPTMEN1NPSR1
SCHEMBL1237271 0.65 MAPT (0.39) KMT2AHTTMAPTMEN1NPSR1
SCHEMBL998820 0.61 HTT (0.51) KMT2AHTTMAPTMEN1NPSR1
SCHEMBL31436932 0.60 ALDH1A1 (0.53) KMT2AHTTMAPTMEN1NPSR1
SCHEMBL971984 0.60 HTT (0.49) KMT2AHTTMAPTMEN1NPSR1
SCHEMBL30267722 0.59 MAPT (0.57) KMT2AMAPTL3MBTL1ALDH1A1TSHR
SCHEMBL31436856 0.59 KMT2A (0.48) KMT2AMEN1NPSR1L3MBTL1ALDH1A1

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-8399497-B2 Thiazole derivatives and use thereof MERCK SERONO SA (CH) 2013-03-19 US disclosed
US-20110086843-A1 Thiazole Derivatives and Use Thereof MERCK SERONO SA (CH) 2011-04-14 US disclosed
US-7879888-B2 N-(4-methyl-5-{5-[(prop-2-yn-1-ylamino)sulfonyl]-2-thienyl}-1,3-thiazol-2-yl)acetamide; autoimmune disorders and/or inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, bacterial or viral infections, kidney diseases, platelet aggregation, cancer, transplantation, graft rejection MERCK SERONO SA (CH) 2011-02-01 US disclosed
US-20080221180-A1 Thiazole Derivatives and Use Thereof LABORATORIES SERONO SA (CH) 2008-09-11 US 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 (2 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-20080221180-A1 Thiazole Derivatives and Use Thereof PDGFRB, PDGFRA, TEC KMT2A 4737/4885HTT 1558/4885MAPT 1418/4885
US-20110086843-A1 Thiazole Derivatives and Use Thereof PDGFRB, PDGFRA, TEC KMT2A 4737/4885HTT 1558/4885MAPT 1418/4885

“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.