SCHEMBL5170979

SCHEMBL5170979

NS(=O)(=O)c1ccc(NC=C2C(=O)Nc3ncc(-c4ccsc4)cc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MET P08581 1/20 0.36
CA2 P00918 4/20 0.35
CA9 Q16790 4/20 0.35
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
MAP3K11 Q16584 2/20 0.35
JAK3 P52333 1/20 0.35
CHEK2 O96017 4/20 0.34
CHEK1 O14757 1/20 0.34
VRK2 Q86Y07 1/20 0.34
EPHX2 P34913 1/20 0.33
CA7 P43166 1/20 0.33

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
SCHEMBL5419132 1.00 IKBKB (0.41) IKBKBALDH1A1PKMHPGDMAPK1
SCHEMBL5430358 0.86 ALDH1A1 (0.46) IKBKBALDH1A1PKMHPGDMAPK1
SCHEMBL5430362 0.86 ALDH1A1 (0.46) IKBKBALDH1A1PKMHPGDMAPK1
SCHEMBL5873978 0.86 CDK8 (0.37) MAPK1METMAP3K11JAK3CHEK2
SCHEMBL5873979 0.86 CDK8 (0.37) MAPK1METMAP3K11JAK3CHEK2
SCHEMBL7704861 0.81 MAP3K11 (0.40) METMAP3K11JAK3CHEK2CHEK1
SCHEMBL5169077 0.81 ALDH1A1 (0.46) ALDH1A1PKMHPGDMAPK1L3MBTL1
SCHEMBL5430345 0.81 ALDH1A1 (0.46) ALDH1A1PKMHPGDMAPK1L3MBTL1
SCHEMBL5873818 0.80 CHEK2 (0.35) MAPK1METMAP3K11JAK3CHEK2
SCHEMBL5873832 0.80 CHEK2 (0.35) MAPK1METMAP3K11JAK3CHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6815439-B2 PYRROLO(2,3-B)PYRIDINE DERIVATIVES AS CYCLIN-DEPENDENT KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2004-11-09 US claimed
US-20040072836-A1 Substituted aza-oxindole derivatives HARRIS PHILIP ANTHONY (US) 2004-04-15 US claimed
EP-1180105-B1 SUBSTITUTED AZA-OXINDOLE DERIVATIVES GLAXO GROUP LTD (GB) 2003-05-14 EP claimed
JP-2003502280-A 2003-01-21 JP claimed
EP-1180105-A2 SUBSTITUTED AZA-OXINDOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 2002-02-20 EP claimed
WO-2000055159-A2 SUBSTITUTED AZA-OXINDOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 2000-09-21 WO claimed
US-20070213403-A1 TAMOXIFEN RESPONSE IN PRE-AND POSTMENOPAUSAL BREAST CANCER PATIENTS FORSKARPATENT I SYD AB (SE) 2007-09-13 US disclosed
EP-1773309-A1 TAMOXIFEN RESPONSE IN PRE-AND POSTMENOPAUSAL BREAST CANCER PATIENTS Forskarpatent i Syd AB (SE) 2007-04-18 EP disclosed
US-7105529-B2 Substituted oxindole derivatives as protein tyrosine and as protein serine/threonine kinase inhibitors and compositions and methods of treating chemotherapy and radiation therapy side effects SMITHKLINE BEECHAM CORPORATION (US) 2006-09-12 US disclosed
WO-2006004545-A1 TAMOXIFEN RESPONSE IN PRE-AND POSTMENOPAUSAL BREAST CANCER PATIENTS FORSKARPATENT I SYD AB (SE) 2006-01-12 WO disclosed
US-6815439-B2 PYRROLO(2,3-B)PYRIDINE DERIVATIVES AS CYCLIN-DEPENDENT KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2004-11-09 US disclosed
US-20040072836-A1 Substituted aza-oxindole derivatives HARRIS PHILIP ANTHONY (US) 2004-04-15 US disclosed
US-6624171-B1 Useful as cyclin dependent kinase 11 inhibitors, for preventing/reducing the severity of epithelial cytotoxicity side-effects (e.g., alopecia, plantar- palmar syndrome, mucositis) induced by chemotherapy and/or radiation therapy SMITHKLINE BEECHAM CORPORATION 2003-09-23 US disclosed
EP-1180105-B1 SUBSTITUTED AZA-OXINDOLE DERIVATIVES GLAXO GROUP LTD (GB) 2003-05-14 EP disclosed
US-20030069430-A1 Substituted oxindole derivatives as protein tyrosine and as protein serine/threonine kinase inhibitors and compositions and methods of treating chemotherapy and radiation therapy side effects SMITHKLINE BEECHAM CORPORATION 2003-04-10 US disclosed
US-6369086-B1 Substituted oxidole derivatives as protein tyrosine and as protein serine/threonine kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2002-04-09 US disclosed
EP-1180105-A2 SUBSTITUTED AZA-OXINDOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 2002-02-20 EP disclosed
WO-2000055159-A2 SUBSTITUTED AZA-OXINDOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 2000-09-21 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-20030069430-A1 Substituted oxindole derivatives as protein tyrosine and as protein serine/threonine kinase inhibitors and compositions and methods of treating chemotherapy and radiation therapy side effects SRC, CDK2, CDK1 IKBKB 430/4885ALDH1A1 3290/4885PKM 2084/4885
US-20040072836-A1 Substituted aza-oxindole derivatives CCNI, AZI2, CDKN1A IKBKB 408/4885ALDH1A1 1625/4885PKM 2382/4885

“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.