SCHEMBL5787017

SCHEMBL5787017

O=C1Nc2cc3c(cc2C1=O)OCO3

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.50
KDM4E B2RXH2 1/20 0.46
BCHE P06276 1/20 0.44
TGM2 P21980 6/20 0.43
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
CDK2 P24941 1/20 0.41
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
TUBA1C Q9BQE3 1/20 0.40

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
SCHEMBL3330307 0.89 CES1 (0.50) CES1BCHETGM2GAATSHR
SCHEMBL7283744 0.77 KDM4E (0.53) KDM4EGAATSHRMAPK1CDK2
SCHEMBL3904370 0.72 PKM (0.54) KDM4ETSHRMAPK1ALDH1A1
SCHEMBL8129028 0.69 MAPK1 (0.36) KDM4EGAATSHRMAPK1CDK2
SCHEMBL20740112 0.69 KDM4E (0.42) KDM4EGAAMAPK1CDK2ALDH1A1
SCHEMBL31647011 0.69 KDM4E (0.42) KDM4EGAAMAPK1CDK2ALDH1A1
SCHEMBL1134704 0.68 CYP3A4 (0.48) KDM4EGAATSHRMAPK1ALDH1A1
SCHEMBL3736248 0.68 CES1 (0.53) CES1BCHETGM2MAOAMAOB
SCHEMBL4737998 0.67 CES1 (0.71) CES1BCHETGM2MAOAMAOB
SCHEMBL734206 0.67 CES1 (1.00) CES1BCHETGM2MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1212318-B1 SUBSTITUTED INDOLINONES AS TYROSINE KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA (DE) 2006-01-25 EP disclosed
US-20050009898-A1 New substituted indolinones, their manufacture and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-01-13 US disclosed
US-6794395-B1 Substituted indolinones, their manufacture and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-09-21 US disclosed
EP-1009738-B1 SUBSTITUTED OXINDOLE DERIVATIVES AS PROTEIN TYROSINE KINASE AND AS PROTEIN SERINE/THREONINE KINASE INHIBITORS GLAXO GROUP LTD (GB) 2004-05-19 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-6541503-B2 Preventing chemotherapy induced alopecia. SMITHKLINE BEECHAM CORPORATION 2003-04-01 US disclosed
US-20030004351-A1 Substituted oxindole derivatives as protein tyrosine kinase and as protein serine/threonine kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2003-01-02 US disclosed
EP-1212318-A1 SUBSTITUTED INDOLINONES AS TYROSINE KINASE INHIBITORS Boehringer Ingelheim Pharma KG (DE) 2002-06-12 EP disclosed
US-6387919-B1 Substituted oxindole derivatives as protein tyrosine kinase and as protein serine/threonine kinase inhibitors GLAXO WELLCOME INC. 2002-05-14 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
WO-2001016130-A1 SUBSTITUTED INDOLINONES AS TYROSINE KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-03-08 WO disclosed
EP-1009738-A1 SUBSTITUTED OXINDOLE DERIVATIVES AS PROTEIN TYROSINE KINASE AND AS PROTEIN SERINE/THREONINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2000-06-21 EP disclosed
WO-1999015500-A1 SUBSTITUTED OXINDOLE DERIVATIVES AS PROTEIN TYROSINE KINASE AND AS PROTEIN SERINE/THREONINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1999-04-01 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 (3 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-20050009898-A1 New substituted indolinones, their manufacture and their use as medicaments CCNE1, CDK1, CCNI CES1 2442/4885KDM4E 221/4885BCHE 3889/4885
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 CES1 2172/4885KDM4E 1926/4885BCHE 4659/4885
US-20030004351-A1 Substituted oxindole derivatives as protein tyrosine kinase and as protein serine/threonine kinase inhibitors CDK2, CDK1, CCNI CES1 1847/4885KDM4E 1409/4885BCHE 4806/4885

“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.