SCHEMBL2406554

SCHEMBL2406554

CS(=O)(=O)Nc1ccc(-c2cccc(N3CCC(CCN(Cc4cscn4)C(=O)O)CC3)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 13/20 0.38
JAK3 P52333 4/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC1 Q13547 9/20 0.38
CASR P41180 2/20 0.37
CKS1B P61024 1/20 0.36
SKP1 P63208 1/20 0.36
SKP2 Q13309 1/20 0.36
SMO Q99835 1/20 0.35
PIK3CA P42336 1/20 0.35
GPR119 Q8TDV5 1/20 0.34
HDAC3 O15379 1/20 0.34
NCOR1 O75376 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34

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
SCHEMBL2406862 0.89 CPT1A (0.37) JAK2JAK3CKS1BSKP1SKP2
SCHEMBL2406458 0.87 CKS1B (0.35) CASRCKS1BSKP1SKP2SMO
SCHEMBL2407363 0.86 CNR1 (0.37) FFAR4
SCHEMBL2407375 0.86 CKS1B (0.40) CKS1BSKP1SKP2FFAR4
SCHEMBL2406117 0.86 HSD11B1 (0.37) CKS1BSKP1SKP2FFAR4
SCHEMBL2406949 0.86 CNR1 (0.39) FFAR4
SCHEMBL2407041 0.85 NPC1 (0.42) CKS1BSKP1SKP2FFAR4
SCHEMBL2407695 0.85 CPT2 (0.34) CKS1BSKP1SKP2FFAR4
SCHEMBL2408573 0.85 ALDH1A1 (0.39) FFAR4
SCHEMBL2408149 0.84 FFAR1 (0.37) GPR119FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8912218-B2 Alkylthiazol carbamate derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2014-12-16 US disclosed
US-20110212963-A1 ALKYLTHIAZOL CARBAMATE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-09-01 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 (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-20110212963-A1 ALKYLTHIAZOL CARBAMATE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF MET, ALK, REL JAK2 1014/4885JAK3 1383/4885HDAC6 231/4885

“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.