SCHEMBL5080210

SCHEMBL5080210

CCOC(=O)c1cc(C(=O)OCC)c(Cl)[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.54
CDK1 P06493 1/20 0.51
CCNB1 P14635 1/20 0.51
ALDH1A1 P00352 5/20 0.50
MAPT P10636 3/20 0.50
LMNA P02545 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
KDM4E B2RXH2 4/20 0.49
HPGD P15428 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HSD17B10 Q99714 1/20 0.49
CYP4F2 P78329 1/20 0.49
CYP4A11 Q02928 1/20 0.49
BAZ2B Q9UIF8 1/20 0.49
BAZ2A Q9UIF9 1/20 0.49
KMT2A Q03164 3/20 0.49
MMP2 P08253 1/20 0.48
MMP13 P45452 1/20 0.48
NPC1 O15118 3/20 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
SCHEMBL3282464 0.88 ALOX15 (0.55) ALOX15CDK1CCNB1ALDH1A1MAPT
SCHEMBL1317881 0.84 KDM4E (0.55) ALOX15ALDH1A1MAPTLMNAL3MBTL1
SCHEMBL11647465 0.82 ALDH1A1 (0.67) ALOX15ALDH1A1MAPTLMNAL3MBTL1
SCHEMBL5080227 0.81 ALDH1A1 (0.51) ALOX15ALDH1A1MAPTLMNAL3MBTL1
SCHEMBL507897 0.81 ALOX15 (0.55) ALOX15CDK1CCNB1ALDH1A1MAPT
SCHEMBL2199077 0.79 ALDH1A1 (0.53) ALOX15ALDH1A1MAPTLMNAL3MBTL1
SCHEMBL3282034 0.78 ALOX15 (0.52) ALOX15CDK1CCNB1ALDH1A1MAPT
SCHEMBL21873308 0.78 ALDH1A1 (0.51) ALOX15CDK1CCNB1ALDH1A1MAPT
SCHEMBL8325034 0.78 CDK1 (0.63) ALOX15CDK1CCNB1ALDH1A1MAPT
SCHEMBL236240 0.77 CYP4F2 (0.57) ALDH1A1MAPTLMNAL3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9884860-B2 Fused pyrroledicarboxamides and their use as pharmaceuticals SANOFI (FR) 2018-02-06 US disclosed
EP-2809669-B1 FUSED PYRROLEDICARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2017-02-01 EP disclosed
US-20160159793-A1 Fused Pyrroledicarboxamides and Their Use as Pharmaceuticals SANOFI (FR) 2016-06-09 US disclosed
US-9284333-B2 Fused pyrroledicarboxamides and their use as pharmaceuticals SANOFI (FR) 2016-03-15 US disclosed
EP-2809669-A1 FUSED PYRROLEDICARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2014-12-10 EP disclosed
WO-2013113860-A1 FUSED PYRROLEDICARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2013-08-08 WO disclosed
EP-1664051-A4 PYRROLOPYRIDAZINE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF PROLIFERATIVE DISORDERS BRISTOL MYERS SQUIBB CO (US) 2008-12-31 EP disclosed
EP-1664051-A2 PYRROLOPYRIDAZINE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF PROLIFERATIVE DISORDERS Bristol-Myers Squibb Company (US) 2006-06-07 EP disclosed
US-7030112-B2 Pyrrolopyridazine compounds and methods of use thereof for the treatment of proliferative disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2006-04-18 US disclosed
WO-2005030144-A2 PYRROLOPYRIDAZINE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF PROLIFERATIVE DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-07 WO disclosed
US-20040209886-A1 Pyrrolopyridazine compounds and methods of use thereof for the treatment of proliferative disorders BRISTOL-MYERS SQUIBB COMPANY 2004-10-21 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 (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-20040209886-A1 Pyrrolopyridazine compounds and methods of use thereof for the treatment of proliferative disorders PCNA, DPYD, MALT1 ALOX15 209/4885CDK1 253/4885CCNB1 304/4885
US-20160159793-A1 Fused Pyrroledicarboxamides and Their Use as Pharmaceuticals KCNA1, KCNE1, KCNH1 ALOX15 2900/4885CDK1 1271/4885CCNB1 1726/4885

“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.