SCHEMBL22854024

SCHEMBL22854024

CCCCC(=O)NC(C(=O)N[C@@H](C)C(=O)Nc1ccc(CC(C)C)cc1)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ MAPT P10636 1/20 0.44
▸ CRHBP P24387 1/20 0.44
▸ CRHR2 Q13324 1/20 0.44
▸ TRPV1 Q8NER1 4/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ CTSD P07339 1/20 0.41
▸ PSMB5 P28074 1/20 0.41
▸ ACACB O00763 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA4 P22748 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ HDAC3 O15379 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC7 Q8WUI4 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
SCHEMBL22854052 1.00 GAA (0.45) GAASMN1; SMN2MAPTCRHBPCRHR2
SCHEMBL21649720 0.93 GAA (0.46) GAASMN1; SMN2MAPTCRHBPCRHR2
SCHEMBL22746497 0.93 GAA (0.46) GAASMN1; SMN2MAPTCRHBPCRHR2
SCHEMBL22336344 0.88 GAA (0.46) GAASMN1; SMN2MAPTCRHBPCRHR2
SCHEMBL22336342 0.88 GAA (0.46) GAASMN1; SMN2MAPTCRHBPCRHR2
SCHEMBL24916607 0.87 GAA (0.43) GAASMN1; SMN2NPC1RAB9ASPHK1
SCHEMBL26445322 0.85 GAA (0.44) GAASMN1; SMN2MAPTCRHBPCRHR2
SCHEMBL26445000 0.84 GAA (0.39) GAASMN1; SMN2MAPTCRHBPCRHR2
SCHEMBL21657990 0.83 KMT2A (0.45) GAASMN1; SMN2MAPTCRHBPCRHR2
SCHEMBL26445311 0.83 HDAC1 (0.45) GAACTSDACACBCA1CA2

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-20200407440-A1 AMATOXIN ANTIBODY-DRUG CONJUGATES AND USES THEREOF MAGENTA THERAPEUTICS INC (US) 2020-12-31 — — 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-20200407440-A1 AMATOXIN ANTIBODY-DRUG CONJUGATES AND USES THEREOF MYADM, FUT7, SIGLEC7 GAA 572/4885SMN1; SMN2 2722/4885MAPT 3537/4885

“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.

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