SCHEMBL21117624

SCHEMBL21117624

CC(C)(C)C(CC(=O)O)C(=O)NI

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 7/20 0.33
MMP3 P08254 6/20 0.33
MMP1 P03956 3/20 0.33
MMP7 P09237 1/20 0.33
PDF Q9HBH1 1/20 0.33
SLC22A6 Q4U2R8 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
MAPT P10636 1/20 0.31
PGD P52209 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
HMGCR P04035 1/20 0.30
CHRM1 P11229 1/20 0.30
TBXA2R P21731 1/20 0.30
ADRA1A P35348 1/20 0.30

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
SCHEMBL18272869 0.79 MAPT (0.41) MMP2MMP3MMP1MMP7PDF
SCHEMBL19776046 0.79 MAPT (0.41) MMP2MMP3MMP1MMP7PDF
SCHEMBL25634004 0.79 MAPT (0.41) MMP2MMP3MMP1MMP7PDF
SCHEMBL18738639 0.79 MMP2 (0.34) MMP2MMP3MMP1MMP7PDF
SCHEMBL19703918 0.78 MMP2 (0.36) MMP2MMP3MMP1MMP7PDF
SCHEMBL1941442 0.75 TDP1 (0.43) SLC22A6TDP1MAPTPGDSMN1; SMN2
SCHEMBL8853350 0.75 TDP1 (0.43) SLC22A6TDP1MAPTPGDSMN1; SMN2
SCHEMBL1941444 0.75 TDP1 (0.43) SLC22A6TDP1MAPTPGDSMN1; SMN2
SCHEMBL13082195 0.75 EPHX1 (0.35) MMP2MMP3MMP1MMP7PDF
SCHEMBL25992667 0.73 CCKBR (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190194315-A1 ANTIBODY DRUG CONJUGATES NOVARTIS AG (CH) 2019-06-27 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 (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-20190194315-A1 ANTIBODY DRUG CONJUGATES EPCAM, CDH1, VIM MMP2 2180/4885MMP3 3207/4885MMP1 4311/4885

“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.