SCHEMBL1415504

SCHEMBL1415504

CCCCC(Br)S(N)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 18/20 0.41
TP53 P04637 1/20 0.39
CA1 P00915 13/20 0.38
CA9 Q16790 8/20 0.37
CA12 O43570 4/20 0.36
CA14 Q9ULX7 4/20 0.36
CA7 P43166 3/20 0.35
CA3 P07451 2/20 0.35
CA4 P22748 2/20 0.35
CA6 P23280 2/20 0.35
CA5A P35218 2/20 0.35
CA5B Q9Y2D0 2/20 0.35

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
SCHEMBL30437398 0.91 CA2 (0.47) CA2TP53CA1CA9CA12
SCHEMBL15562345 0.78 CA2 (0.42) CA2TP53CA1CA9CA12
SCHEMBL27675605 0.76 TP53 (0.43) CA2TP53CA1
SCHEMBL28229721 0.76 FAAH (0.39) CA2TP53CA1
SCHEMBL1415215 0.76 TP53 (0.34) CA2TP53CA1CA12CA14
SCHEMBL8715933 0.75 CA2 (0.43) CA2TP53CA1CA9CA12
SCHEMBL15620908 0.74
SCHEMBL222613 0.73 TP53 (0.50) CA2TP53CA1CA9CA12
SCHEMBL2185910 0.73 TP53 (0.45) CA2TP53CA1CA9CA12
SCHEMBL276801 0.71 CA2 (0.43) CA2TP53CA1CA9CA12

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107108598-B Thiazoles as Ror gamma t modulators 詹森药业有限公司 2020-11-17 CN disclosed
EP-3212642-B1 AMIDE SUBSTITUTED THIAZOLES AS MODULATORS OF RORGAMMAT JANSSEN PHARMACEUTICA NV (BE) 2019-10-30 EP disclosed
EP-3212641-B1 THIAZOLES AS MODULATORS OF RORYT JANSSEN PHARMACEUTICA NV (BE) 2018-12-05 EP disclosed
US-10080744-B2 Thiazoles as modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2018-09-25 US disclosed
CN-108064224-A Amide-substituted thiazoles as modulators of Ror gamma t 詹森药业有限公司 2018-05-22 CN disclosed
US-20180064690-A1 THIAZOLES AS MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2018-03-08 US disclosed
US-9861618-B2 Thiazoles as modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2018-01-09 US disclosed
US-9845319-B2 Amide substituted thiazoles as modulators of RORyt Janssen Pharmaceutiuca NV (BE) 2017-12-19 US disclosed
EP-3212641-A1 THIAZOLES AS MODULATORS OF RORyt Janssen Pharmaceutica NV (BE) 2017-09-06 EP disclosed
EP-3212642-A1 AMIDE SUBSTITUTED THIAZOLES AS MODULATORS OF RORyT Janssen Pharmaceutica NV (BE) 2017-09-06 EP disclosed
US-8207166-B2 Substituted pyrazolyl urea derivatives useful in the treatment of cancer BAYER HEALTHCARE LLC (US) 2012-06-26 US disclosed
EP-1751139-B1 SUBSTITUTED PYRAZOLYL UREA DERIVATIVES USEFUL IN THE TREATMENT OF CANCER BAYER HEALTHCARE LLC (US) 2011-07-27 EP disclosed
US-20110136809-A1 Substituted Pyrazolyl Urea Derivatives Useful In The Treatment Of Cancer BAYER PHARMACEUTICALS CORPORATION (US) 2011-06-09 US disclosed
EP-2295426-A1 Substituted pyrazolyl urea derivatives useful in the treatment of cancer Bayer HealthCare, LLC (US) 2011-03-16 EP disclosed
EP-2295427-A1 Substituted pyrazolyl urea derivatives useful in the treatment of cancer Bayer HealthCare, LLC (US) 2011-03-16 EP disclosed
US-7838524-B2 Substituted pyrazolyl urea derivatives useful in the treatment of cancer BAYER HEALTHCARE LLC (US) 2010-11-23 US disclosed
US-20080214545-A1 Substituted Pyrazolyl Urea Derivatives Useful in the Treatment of Cancer BAYER HEALTHCARE LLC 2008-09-04 US disclosed
CN-101208299-A Diarylsulfone sulfonamides and use therof WYETH CORP (US) 2008-06-25 CN disclosed
EP-1751139-A2 SUBSTITUTED PYRAZOLYL UREA DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Bayer Pharmaceuticals Corporation (US) 2007-02-14 EP disclosed
WO-2005110994-A2 SUBSTITUTED PYRAZOLYL UREA DERIVATIVES USEFUL IN THE TREATMENT OF CANCER BAYER PHARMACEUTICALS CORPORATION (US) 2005-11-24 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 (4 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-20080214545-A1 Substituted Pyrazolyl Urea Derivatives Useful in the Treatment of Cancer UMPS, SLC14A1, TP53 CA2 3611/4885TP53 3/4885CA1 3721/4885
US-10080744-B2 Thiazoles as modulators of RORγt RORB, RORA, RORC CA2 3582/4885TP53 2673/4885CA1 3568/4885
US-20110136809-A1 Substituted Pyrazolyl Urea Derivatives Useful In The Treatment Of Cancer UMPS, SLC14A1, TP53 CA2 3611/4885TP53 3/4885CA1 3721/4885
US-20180064690-A1 THIAZOLES AS MODULATORS OF RORyt RORC, RORB, RORA CA2 2968/4885TP53 2552/4885CA1 3251/4885

“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.