SCHEMBL2930161

SCHEMBL2930161

O=C(O)c1c(S(=O)(=O)N2CCO[C@H](COc3ccccc3)C2)c2cc(Cl)ccc2n1S(=O)(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACLY P53396 2/20 0.55
DRD4 P21917 8/20 0.45
EPHA2 P29317 1/20 0.42
KDR P35968 1/20 0.42
EPHB4 P54760 1/20 0.42
HRH3 Q9Y5N1 1/20 0.40
PDK1 Q15118 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
ADAM17 P78536 1/20 0.38

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
SCHEMBL2928718 1.00 ACLY (0.55) ACLYDRD4EPHA2KDREPHB4
SCHEMBL15287543 0.94 ACLY (0.49) ACLYDRD4EPHA2KDREPHB4
SCHEMBL15287559 0.92 ACLY (0.49) ACLYDRD4EPHA2KDREPHB4
SCHEMBL4014930 0.91 ACLY (0.51) ACLYDRD4EPHA2KDREPHB4
SCHEMBL4318896 0.91 ACLY (0.51) ACLYDRD4EPHA2KDREPHB4
SCHEMBL2926088 0.90 ACLY (0.49) ACLYDRD4EPHA2KDREPHB4
SCHEMBL2931552 0.90 ACLY (0.49) ACLYDRD4EPHA2KDREPHB4
SCHEMBL15287460 0.90 ACLY (0.45) ACLYDRD4EPHA2KDREPHB4
SCHEMBL15287518 0.89 ACLY (0.44) ACLYDRD4EPHA2KDREPHB4
SCHEMBL15287481 0.86 ACLY (0.42) ACLYDRD4EPHA2KDREPHB4

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 7 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-7560546-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2009-07-14 US disclosed
EP-1534695-A4 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2008-06-11 EP disclosed
US-20050261496-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME LLC 2005-11-24 US disclosed
EP-1534695-A2 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2005-06-01 EP disclosed
US-20040102360-A1 Combination therapy BARNETT STANLEY F (US) 2004-05-27 US disclosed
WO-2004014851-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2004-02-19 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 (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 ACLY 3558/4885DRD4 2379/4885EPHA2 456/4885
US-20040102360-A1 Combination therapy MTOR, AKT2, PLK1 ACLY 862/4885DRD4 4775/4885EPHA2 2453/4885

“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.