SCHEMBL629367

SCHEMBL629367

C=CCCOc1cccc(OCc2ccccc2)c1C(=O)N(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
BRD4 O60885 2/20 0.46
FOLH1 Q04609 1/20 0.46
PTGER1 P34995 2/20 0.42
PTGER4 P35408 1/20 0.42
PTGER3 P43115 1/20 0.42
PTGER2 P43116 1/20 0.42
TDP1 Q9NUW8 3/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
APP P05067 1/20 0.41
ALDH1A1 P00352 1/20 0.40
BCHE P06276 1/20 0.40
CCNB2 O95067 1/20 0.40
CDK1 P06493 1/20 0.40
CDK4 P11802 1/20 0.40
CCNB1 P14635 1/20 0.40
CCND1 P24385 1/20 0.40
CCNB3 Q8WWL7 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
SCHEMBL4643769 0.87 FOLH1 (0.56) KDM4EBRD4FOLH1PTGER1PTGER4
SCHEMBL4644482 0.84 KDM4E (0.48) KDM4EBRD4FOLH1PTGER1PTGER4
SCHEMBL4643985 0.84 KDM4E (0.50) KDM4EBRD4FOLH1PTGER1PTGER4
SCHEMBL3916276 0.81 BRD4 (0.45) KDM4EBRD4FOLH1TDP1MAPT
SCHEMBL629639 0.79 MAOB (0.56) BRD4FOLH1PTGER1TDP1MAPT
SCHEMBL8204822 0.73 FOLH1 (0.69) BRD4FOLH1PTGER1TDP1MAPT
SCHEMBL12726937 0.73 TRPM8 (0.58) BRD4PTGER1MAPTL3MBTL1ALDH1A1
SCHEMBL629834 0.71 MAOB (0.41) KDM4EBRD4TDP1L3MBTL1APP
SCHEMBL16789592 0.71 PTGER1 (0.51) BRD4PTGER1TDP1MAPTMAPK1
SCHEMBL4947232 0.71 MAOB (0.61) BRD4FOLH1PTGER1PTGER4PTGER3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963292-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-02-22 EP disclosed
US-7700633-B2 Organic compounds NOVARTIS AG (CH) 2010-04-20 US disclosed
US-20080293782-A1 1,1,3-Trioxo-1,2,5-Thiadiazolidines and Their Use as Ptp-Ases Inhibitors NOVARTIS AG (CH) 2008-11-27 US disclosed
US-20080262050-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-23 US disclosed
EP-1963292-A2 ORGANIC COMPOUNDS Novartis Pharma AG (CH) 2008-09-03 EP disclosed
EP-1960377-A1 l , l , 3-TRI0X0-l , 2 , 5-THIADIAZ0LIDINES AND THEIR USE AS PTP-ASES INHIBITORS Novartis AG (CH) 2008-08-27 EP disclosed
WO-2007067614-A1 l, l, 3-TRI0X0-l, 2, 5-THIADIAZ0LIDINES AND THEIR USE AS PTP-ASES INHIBITORS NOVARTIS AG (CH) 2007-06-14 WO disclosed
WO-2007067615-A2 THIADIAZOLE DERIVATIVES AS ANTIDIABETIC AGENTS NOVARTIS AG (CH) 2007-06-14 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-20080293782-A1 1,1,3-Trioxo-1,2,5-Thiadiazolidines and Their Use as Ptp-Ases Inhibitors PTPRS, IRS1, PTPMT1 KDM4E 3278/4885BRD4 3536/4885FOLH1 2899/4885
US-20080262050-A1 Organic Compounds PTPRS, PTPRO, PTPRC KDM4E 1977/4885BRD4 3125/4885FOLH1 2829/4885

“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.