SCHEMBL17414822

SCHEMBL17414822

CC(C)(C)OC(=O)NCC(=O)Nc1ccc2[nH]c(C(=O)O)cc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LEF1 Q9UJU2 1/20 0.48
PIN1 Q13526 1/20 0.47
MMP13 P45452 1/20 0.46
AURKB Q96GD4 3/20 0.42
EGFR P00533 2/20 0.42
RAF1 P04049 1/20 0.42
KDR P35968 1/20 0.42
MAP2K2 P36507 1/20 0.42
MAP2K1 Q02750 1/20 0.42
SMAD3 P84022 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41
PDPK1 O15530 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41

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
SCHEMBL22238249 0.89 LEF1 (0.47) LEF1MMP13AURKBEGFRRAF1
SCHEMBL17414823 0.87 MMP13 (0.64) LEF1MMP13KDM4EALDH1A1HPGD
SCHEMBL3030225 0.87 LEF1 (0.60) LEF1PIN1MMP13SMAD3KDM4E
SCHEMBL29830077 0.83 LEF1 (0.67) LEF1PIN1MMP13KDM4EALDH1A1
SCHEMBL19885734 0.80 LEF1 (0.61) LEF1PIN1EGFRKDM4ELMNA
SCHEMBL8196470 0.79 SMAD3 (0.57) PIN1MMP13SMAD3KDM4EALDH1A1
SCHEMBL6512022 0.78 MMP13 (0.55) PIN1MMP13SMAD3KDM4EALDH1A1
SCHEMBL8693590 0.78 CA1 (0.54) AURKBEGFRRAF1KDRMAP2K2
SCHEMBL3035898 0.77 LEF1 (0.49) LEF1PIN1SMAD3KDM4EHPGD
SCHEMBL28291195 0.77 CA12 (0.45) LEF1PIN1MMP13F11HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210106689-A1 Saccharide Derivative of a Toxic Payload and Antibody Conjugates Thereof GLYKOS FINLAND OY (FI) 2021-04-15 US disclosed
US-10973920-B2 Saccharide derivative of a toxic payload and antibody conjugates thereof GLYKOS FINLAND OY (FI) 2021-04-13 US disclosed
EP-3160513-B1 SACCHARIDE DERIVATIVE OF A TOXIC PAYLOAD AND ANTIBODY CONJUGATES THEREOF GLYKOS FINLAND OY (FI) 2020-02-12 EP disclosed
WO-2016001485-A1 SACCHARIDE DERIVATIVE OF A TOXIC PAYLOAD AND ANTIBODY CONJUGATES THEREOF GLYKOS FINLAND OY (FI) 2016-01-07 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-20210106689-A1 Saccharide Derivative of a Toxic Payload and Antibody Conjugates Thereof FUT5, STT3A, CD44 LEF1 4460/4885PIN1 2436/4885MMP13 1017/4885
US-10973920-B2 Saccharide derivative of a toxic payload and antibody conjugates thereof FUT5, STT3A, CD44 LEF1 4460/4885PIN1 2436/4885MMP13 1017/4885

“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.