SCHEMBL8229604

SCHEMBL8229604

Cc1nc(S(=O)(=O)C(C)C)cn1C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 1/20 0.42
THRB P10828 1/20 0.40
NLRP3 Q96P20 1/20 0.37
S1PR1 P21453 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HCRTR2 O43614 1/20 0.34
TRIM24 O15164 2/20 0.33
CYP17A1 P05093 1/20 0.32
TXNRD1 Q16881 1/20 0.31
TLR9 Q9NR96 1/20 0.30
TLR8 Q9NR97 1/20 0.30
TLR7 Q9NYK1 1/20 0.30

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
SCHEMBL2702033 0.78 TDP1 (0.45) TDP1LMNATHRBNLRP3S1PR1
SCHEMBL1641716 0.78 TDP1 (0.45) TDP1LMNATHRBNLRP3S1PR1
Hydrochloric Acid SCHEMBL27570535 0.76 TDP1 (0.44) TDP1LMNATHRBNLRP3S1PR1
SCHEMBL388492 0.76 TDP1 (0.44) TDP1LMNATHRBNLRP3S1PR1
SCHEMBL489962 0.76 LMNA (0.48) TDP1LMNATHRBNLRP3S1PR1
SCHEMBL12922882 0.74 LMNA (0.43) TDP1LMNATHRBNLRP3S1PR1
SCHEMBL14968743 0.73 LMNA (0.56) TDP1LMNATHRBNLRP3S1PR1
SCHEMBL13290917 0.73 TDP1 (0.49) TDP1LMNATHRBNLRP3S1PR1
SCHEMBL12895707 0.73 TDP1 (0.42) TDP1LMNATHRBNLRP3S1PR1
SCHEMBL13389525 0.72 TDP1 (0.41) TDP1LMNATHRBNLRP3S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-11-05 US disclosed
WO-2019147782-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-08-01 WO disclosed
US-7550458-B2 Tricycloundecane compounds useful as modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-23 US disclosed
US-7550458-B2 Tricycloundecane compounds useful as modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-23 US disclosed
US-7419978-B2 Phenyl-aniline substituted bicyclic compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-02 US disclosed
US-20070142369-A1 Combination of an H3 antagonist/inverse agonist and an appetite suppressant SCHERING CORPORATION 2007-06-21 US disclosed
US-20070088029-A1 Tricycloundecane compounds useful as modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2007-04-19 US disclosed
US-20070088029-A1 Tricycloundecane compounds useful as modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2007-04-19 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 (3 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-20070142369-A1 Combination of an H3 antagonist/inverse agonist and an appetite suppressant CNR2, GPR119, GLP1R TDP1 4535/4885LMNA 4032/4885THRB 341/4885
US-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS RIPK1, RIPK2, RIPK4 TDP1 534/4885LMNA 3691/4885THRB 2508/4885
US-20070088029-A1 Tricycloundecane compounds useful as modulators of nuclear hormone receptor function VDR, ESRRB, NR5A1 TDP1 2080/4885LMNA 3299/4885THRB 67/4885

“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.