SCHEMBL10001050

SCHEMBL10001050

CC1=C(C(=O)OCC(=O)O)C(C)C(C(=O)OCC(=O)O)=C(C)N1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.70
LMNA P02545 4/20 0.70
ALDH1A1 P00352 8/20 0.53
HSD17B10 Q99714 3/20 0.53
USP2 O75604 1/20 0.53
GAA P10253 2/20 0.51
POLB P06746 1/20 0.51
MAPT P10636 4/20 0.49
TSHR P16473 3/20 0.49
HPGD P15428 3/20 0.49
RECQL P46063 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL10001049 0.91 KDM4E (0.58) KDM4ELMNAALDH1A1HSD17B10USP2
SCHEMBL3503405 0.82 KDM4E (1.00) KDM4ELMNAALDH1A1HSD17B10USP2
SCHEMBL10001053 0.82 ALDH1A1 (0.56) KDM4ELMNAALDH1A1HSD17B10GAA
SCHEMBL432202 0.82 KDM4E (0.66) KDM4ELMNAALDH1A1HSD17B10USP2
SCHEMBL8890327 0.80 KDM4E (0.86) KDM4ELMNAALDH1A1HSD17B10USP2
SCHEMBL10035458 0.80 KDM4E (0.55) KDM4ELMNAALDH1A1HSD17B10GAA
SCHEMBL9831380 0.76 KDM4E (0.86) KDM4ELMNAALDH1A1HSD17B10USP2
SCHEMBL8106730 0.76 KDM4E (0.86) KDM4ELMNAALDH1A1HSD17B10USP2
SCHEMBL11249261 0.75 KDM4E (0.66) KDM4ELMNAALDH1A1HSD17B10USP2
SCHEMBL9671672 0.75 KDM4E (0.60) KDM4ELMNAALDH1A1HSD17B10USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492413-B2 Pharmaceutical combination of 5-fluorouracil and derivate of 1,4-dihydropyridine and its use in the treatment of cancer JSC GRINDEKS (LV) 2013-07-23 US disclosed
US-8492413-B2 Pharmaceutical combination of 5-fluorouracil and derivate of 1,4-dihydropyridine and its use in the treatment of cancer JSC GRINDEKS (LV) 2013-07-23 US disclosed
US-20120022088-A1 PHARMACEUTICAL COMBINATION OF 5-FLUOROURACIL AND DERIVATE OF 1,4-DIHYDROPYRIDINE AND ITS USE IN THE TREATMENT OF CANCER JSC GRINDEKS (LV) 2012-01-26 US disclosed
US-20120022088-A1 PHARMACEUTICAL COMBINATION OF 5-FLUOROURACIL AND DERIVATE OF 1,4-DIHYDROPYRIDINE AND ITS USE IN THE TREATMENT OF CANCER JSC GRINDEKS (LV) 2012-01-26 US disclosed
WO-2010103067-A1 PHARMACEUTICAL COMBINATION OF 5-FLUOROURACIL AND DERIVATE OF 1,4-DIHYDROPYRIDINE AND ITS USE IN THE TREATMENT OF CANCER GRINDEKS, A JOINT STOCK COMPANY (LV) 2010-09-16 WO disclosed
EP-2228365-A1 Pharmaceutical combination of 5-fluorouracil and derivative of 1,4-dihydropyridine and its use in the treatment of cancer Grindeks, a joint stock company (LV) 2010-09-15 EP 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 (1 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-20120022088-A1 PHARMACEUTICAL COMBINATION OF 5-FLUOROURACIL AND DERIVATE OF 1,4-DIHYDROPYRIDINE AND ITS USE IN THE TREATMENT OF CANCER DPYD, DHFR, FOLR1 KDM4E 201/4885LMNA 4640/4885ALDH1A1 63/4885

“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.