SCHEMBL1621978

SCHEMBL1621978

Cc1ccc(S(=O)(=O)Nc2cncc(Br)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 1/20 0.60
EGFR P00533 1/20 0.59
POLB P06746 1/20 0.56
ALDH1A1 P00352 7/20 0.53
KDM4E B2RXH2 3/20 0.53
ALPL P05186 1/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
SLC22A12 Q96S37 1/20 0.51
PTPRC P08575 1/20 0.49
FFAR4 Q5NUL3 1/20 0.49
LMNA P02545 2/20 0.48
PTGS2 P35354 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 2/20 0.48
GAA P10253 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL381261 0.85 MEN1 (0.60) EGFRALDH1A1CA1CA2SLC22A12
SCHEMBL791411 0.84 SLC22A12 (0.60) PIK3CBEGFRPOLBALDH1A1CA12
SCHEMBL1622201 0.82 SLC22A12 (0.46) PIK3CBEGFRALDH1A1SLC22A12LMNA
SCHEMBL14748030 0.82 PIK3CB (0.60) PIK3CBPOLBALDH1A1KDM4EALPL
SCHEMBL19728991 0.79 PIK3CB (0.57) PIK3CBPOLBALDH1A1KDM4EALPL
SCHEMBL6831830 0.77 CA12 (0.68) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL2831972 0.77 CA12 (0.68) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL17858621 0.76 MEN1 (0.60) PIK3CBALDH1A1KDM4EALPLCA1
SCHEMBL856308 0.75 PIK3CB (0.54) PIK3CBALPLSLC22A12PTGS2NAMPT
SCHEMBL13539327 0.75 SLC22A12 (0.60) PIK3CBPOLBALDH1A1KDM4EALPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2183232-B1 PI3 KINASE MODULATORS AND METHODS OF USE AMGEN INC (US) 2013-03-06 EP disclosed
US-7928140-B2 Benzothiazole PI3 kinase modulators for cancer treatment AMGEN INC. (US) 2011-04-19 US disclosed
US-7928140-B2 Benzothiazole PI3 kinase modulators for cancer treatment AMGEN INC. (US) 2011-04-19 US disclosed
US-7928140-B2 Benzothiazole PI3 kinase modulators for cancer treatment AMGEN INC. (US) 2011-04-19 US disclosed
EP-2183232-A2 PI3 KINASE MODULATORS AND METHODS OF USE Amgen, Inc (US) 2010-05-12 EP disclosed
US-20090054405-A1 PI3 kinase modulators and methods of use AMGEN INC. (US) 2009-02-26 US disclosed
US-20090054405-A1 PI3 kinase modulators and methods of use AMGEN INC. (US) 2009-02-26 US disclosed
US-20090054405-A1 PI3 kinase modulators and methods of use AMGEN INC. (US) 2009-02-26 US disclosed
WO-2009017822-A2 PI3 KINASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2009-02-05 WO disclosed
WO-2009017822-A2 PI3 KINASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2009-02-05 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 (1 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-20090054405-A1 PI3 kinase modulators and methods of use PIK3CA, PIK3C2A, PIK3C2B PIK3CB 6/4885EGFR 475/4885POLB 1817/4885

“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.