SCHEMBL4464908

SCHEMBL4464908

CCOC(=O)c1[nH]c(C=O)c(C(C)=O)c1C

nearest known ligand 0.82

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.82
POLB P06746 1/20 0.82
KMT2A Q03164 1/20 0.82
HPGD P15428 2/20 0.61
XBP1 P17861 1/20 0.58
MAPK1 P28482 1/20 0.58
CYP1A2 P05177 2/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.54
LMNA P02545 1/20 0.54
TSHR P16473 2/20 0.52
IGF1R P08069 1/20 0.52
RAB9A P51151 1/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50

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
SCHEMBL5621143 0.90 ALDH1A1 (1.00) ALDH1A1POLBKMT2AHPGDXBP1
SCHEMBL94986 0.86 ALDH1A1 (0.85) ALDH1A1POLBKMT2AHPGDCYP1A2
SCHEMBL1450411 0.83 HPGD (0.80) ALDH1A1POLBKMT2AHPGDXBP1
SCHEMBL27942077 0.83 ALDH1A1 (0.76) ALDH1A1POLBKMT2AHPGDMAPK1
SCHEMBL7253512 0.83 ALDH1A1 (0.85) ALDH1A1POLBKMT2AHPGDMAPK1
SCHEMBL7253527 0.82 ALDH1A1 (0.78) ALDH1A1POLBKMT2AHPGDMAPK1
SCHEMBL13976191 0.81 ALDH1A1 (0.76) ALDH1A1POLBKMT2AHPGDXBP1
SCHEMBL13982876 0.81 ALDH1A1 (0.82) ALDH1A1POLBKMT2AHPGDMAPK1
SCHEMBL4457671 0.80 ALDH1A1 (0.70) ALDH1A1POLBKMT2AHPGDCYP1A2
SCHEMBL3131054 0.80 ALDH1A1 (0.78) ALDH1A1POLBKMT2AHPGDMAPK1

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-4070366-A RING ALKYLATION OF SUBSTITUTED PYRROLES, ONE STEP CANADIAN PATENTS & DEVELOPMENT LIMITED (US) 1978-01-24 US claimed
US-7572924-B2 Pyrrole substituted 2-indolinone protein kinase inhibitors SUGEN, INC. (US) 2009-08-11 US disclosed
US-7320996-B2 Indolinone protein kinase inhibitors and cyclooxygenase inhibitors for use in combination therapy for the treatment of cancer SUGEN, INC (US) 2008-01-22 US disclosed
US-20070010569-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors SUGEN, INC. & PHARMACIA & UPJOHN CO. 2007-01-11 US disclosed
US-7125905-B2 Pyrrole substituted 2-indolinone protein kinase inhibitors AGOURON PHARMACEUTICALS, INC. (US) 2006-10-24 US disclosed
US-20050176802-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors SUGEN, INC. & PHARMACIA & UPJOHN CO. 2005-08-11 US disclosed
EP-1427326-A4 COMBINATION THERAPY FOR THE TREATMENT OF CANCER SUGEN INC (US) 2005-06-08 EP disclosed
US-6878733-B1 Formulations for pharmaceutical agents ionizable as free acids or free bases SUGEN, INC. (US) 2005-04-12 US disclosed
EP-1427326-A2 COMBINATION THERAPY FOR THE TREATMENT OF CANCER Sugen, Inc. (US) 2004-06-16 EP disclosed
US-20040063773-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors SUGEN, INC. & PHARMACIA & UPJOHN CO. 2004-04-01 US disclosed
US-20030216410-A1 Combination therapy for the treatment of cancer PHARMACIA CORPORATION 2003-11-20 US disclosed
US-6573293-B2 Pyrrole substituted 2-indolinone protein kinase inhibitors SUGEN, INC. 2003-06-03 US disclosed
WO-2003015608-A2 COMBINATION THERAPY FOR THE TREATMENT OF CANCER SUGEN, INC. (US) 2003-02-27 WO disclosed
US-6506763-B2 Useful in prevention and treatment of protein kinase related disorders such as cancer SUGEN, INC. 2003-01-14 US disclosed
EP-1255752-A2 PYRROLE SUBSTITUTED 2-INDOLINONE PROTEIN KINASE INHIBITORS Sugen, Inc. (US) 2002-11-13 EP disclosed
US-20020156292-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors PHARMACIA & UPJOHN COMPANY LLC 2002-10-24 US disclosed
WO-2001060814-A2 PYRROLE SUBSTITUTED 2-INDOLINONE PROTEIN KINASE INHIBITORS SUGEN, INC. (US) 2001-08-23 WO disclosed
US-4070366-A RING ALKYLATION OF SUBSTITUTED PYRROLES, ONE STEP CANADIAN PATENTS & DEVELOPMENT LIMITED (US) 1978-01-24 US 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 (5 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-20030216410-A1 Combination therapy for the treatment of cancer PTGS2, PTGES2, PTGFR ALDH1A1 918/4885POLB 2329/4885KMT2A 1348/4885
US-20050176802-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors PDPK1, MAP3K20, PLK2 ALDH1A1 2793/4885POLB 1869/4885KMT2A 2242/4885
US-20070010569-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors PDPK1, PLK2, PNCK ALDH1A1 2848/4885POLB 1776/4885KMT2A 2261/4885
US-20040063773-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors PDPK1, MAP3K20, PLK2 ALDH1A1 2793/4885POLB 1869/4885KMT2A 2242/4885
US-20020156292-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors PDPK1, MAP3K20, PLK2 ALDH1A1 2793/4885POLB 1869/4885KMT2A 2242/4885

“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.