SCHEMBL2929510

SCHEMBL2929510

CCOC(=O)c1c(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c2cc(Cl)ccc2n1S(=O)(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.45
HPGD P15428 2/20 0.45
NOD2 Q9HC29 1/20 0.44
NOD1 Q9Y239 1/20 0.44
NPSR1 Q6W5P4 2/20 0.42
HSD17B10 Q99714 2/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
PTGDR2 Q9Y5Y4 4/20 0.42
ACLY P53396 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HTR6 P50406 2/20 0.40

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
SCHEMBL2927961 1.00 GAA (0.45) GAAHPGDNOD2NOD1NPSR1
SCHEMBL2927960 1.00 GAA (0.45) GAAHPGDNOD2NOD1NPSR1
SCHEMBL2930564 0.88 ACLY (0.51) TSHRPTGDR2ACLYTDP1SMN1; SMN2
SCHEMBL4757644 0.88 ACLY (0.51) TSHRPTGDR2ACLYTDP1SMN1; SMN2
SCHEMBL2930565 0.88 ACLY (0.51) TSHRPTGDR2ACLYTDP1SMN1; SMN2
SCHEMBL2929041 0.86 SMN1; SMN2 (0.47) GAAHPGDNOD2NOD1NPSR1
SCHEMBL2345728 0.83 NOD2 (0.52) HPGDNOD2NOD1HSD17B10TSHR
SCHEMBL2346812 0.83 NOD2 (0.52) HPGDNOD2NOD1NPSR1HSD17B10
SCHEMBL2351246 0.82 NOD2 (0.51) HPGDNOD2NOD1HSD17B10TSHR
SCHEMBL4318896 0.81 ACLY (0.51) NOD2NOD1PTGDR2ACLYALDH1A1

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
EP-1534695-B1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME (US) 2010-09-29 EP disclosed
US-20090186871-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2009-07-23 US disclosed
US-7560546-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2009-07-14 US disclosed
US-20050261496-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME LLC 2005-11-24 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-20050261496-A1 Tyrosine kinase inhibitors ABL1, JAK2, ERBB2 GAA 3410/4885HPGD 4099/4885NOD2 2119/4885
US-20090186871-A1 Tyrosine kinase inhibitors ABL1, JAK2, ERBB2 GAA 3410/4885HPGD 4099/4885NOD2 2119/4885

“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.