SCHEMBL5264466

SCHEMBL5264466

CC(C)CS(=O)(=O)c1ccccc1N

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KYNU Q16719 2/20 0.60
GAA P10253 1/20 0.52
CA9 Q16790 3/20 0.50
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA4 P22748 2/20 0.50
CYP2C9 P11712 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
HTR6 P50406 1/20 0.46
ALOX5AP P20292 1/20 0.43
FEN1 P39748 1/20 0.43
NFKBIA P25963 1/20 0.36
RELA Q04206 1/20 0.36
SLC40A1 Q9NP59 1/20 0.36

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
SCHEMBL25712015 0.81 KYNU (0.69) KYNUGAACA9CA12CA1
SCHEMBL1972988 0.79 GAA (0.60) KYNUGAACA9CA12CA1
SCHEMBL4697110 0.78 ALOX5AP (0.39) KYNUGAAALOX5APFEN1
SCHEMBL14009331 0.78 ALOX5AP (0.39) KYNUCA2ALOX5APFEN1
SCHEMBL23409832 0.77 SIRT2 (0.40) KYNUALOX5APFEN1
SCHEMBL18091016 0.77 ALOX5AP (0.38) KYNUGAAALOX5APFEN1
SCHEMBL5340247 0.77 PLCG1 (0.62) CA1CA2CA4CA6ALOX5AP
Hydrochloric Acid SCHEMBL1263253 0.77 ALOX5AP (0.38) KYNUCA2ALOX5APFEN1
SCHEMBL11130878 0.77 KYNU (0.37) KYNUGAACA9CA12CA1
SCHEMBL7288933 0.75 GAA (0.60) KYNUGAACA9CA12CA1

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
WO-2018127184-A1 ANAPLASTIC LYMPHOMA KINASE INHIBITOR AND PREPARATION METHOD AND USE THEREOF 北京赛林泰医药技术有限公司 2018-07-12 WO disclosed
US-20070238763-A1 Urea derivatives as integrin a4 antagonists LABORATORIOS ALMIRALL, S.A. 2007-10-11 US disclosed
EP-1383750-B1 UREA DERIVATIVES AS INTEGRIN ALPHA 4 ANTAGONISTS ALMIRALL LAB (ES) 2007-09-26 EP disclosed
US-7253171-B2 Urea derivatives as integrin α4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2007-08-07 US disclosed
US-20040142982-A1 Urea derivatives as integrin alpha 4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2004-07-22 US disclosed
EP-1383750-A2 UREA DERIVATIVES AS INTEGRIN ALPHA 4 ANTAGONISTS Almirall Prodesfarma, S.A. (ES) 2004-01-28 EP disclosed
WO-2002057242-A2 UREA DERIVATIVES AS INTEGRIN ALPHA 4 ANTAGONISTS ALMIRALL PRODESFARMA, S.A. (ES) 2002-07-25 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-20040142982-A1 Urea derivatives as integrin alpha 4 antagonists ITGA4, ITGB4, ITGA1 KYNU 4858/4885GAA 3296/4885CA9 3835/4885
US-20070238763-A1 Urea derivatives as integrin a4 antagonists ITGB4, ITGA4, ITGB7 KYNU 4869/4885GAA 3427/4885CA9 3524/4885

“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.