SCHEMBL12945876

SCHEMBL12945876

CNCCNC(=O)CCN1C(=O)CC(S)C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC10 Q969S8 1/20 0.35
▸ HDAC11 Q96DB2 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ HDAC9 Q9UKV0 1/20 0.35
▸ HDAC5 Q9UQL6 1/20 0.35
▸ GAA P10253 3/20 0.34
▸ POLB P06746 3/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ ADAM17 P78536 1/20 0.33
▸ MEN1 O00255 3/20 0.32

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
SCHEMBL25664911 0.92 HDAC3 (0.41) ALDH1A1SMN1; SMN2HPGDHTTHDAC3
SCHEMBL23397424 0.92 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2HPGDHTTHDAC3
SCHEMBL23226171 0.86 TP53 (0.41) SMN1; SMN2HPGDHTTHDAC3HDAC4
SCHEMBL23975074 0.86 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2HPGDHTTHDAC3
SCHEMBL16204453 0.86 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2HPGDHTTHDAC3
SCHEMBL16306639 0.85 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2HPGDHTTHDAC3
SCHEMBL13225541 0.85 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2HPGDHTTHDAC3
SCHEMBL20118250 0.85 FAAH (0.38) ALDH1A1SMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL19185387 0.84 LMNA (0.43) ALDH1A1SMN1; SMN2HPGDHTTHDAC3
SCHEMBL15474214 0.84 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2HPGDHTTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9463252-B2 Auristatin drug linker conjugates SEATTLE GENETICS, INC. (US) 2016-10-11 — — US disclosed
US-20140050746-A1 AURISTATIN DRUG LINKER CONJUGATES SEATTLE GENETICS, INC. (US) 2014-02-20 — — US disclosed
US-20110020343-A1 AURISTATIN DRUG LINKER CONJUGATES SEATTLE GENETICS, INC. (US) 2011-01-27 — — 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 (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-20110020343-A1 AURISTATIN DRUG LINKER CONJUGATES AURKA, AURKC, AURKB ALDH1A1 1466/4885SMN1; SMN2 3344/4885HPGD 4166/4885
US-20140050746-A1 AURISTATIN DRUG LINKER CONJUGATES AURKA, AURKC, AURKB ALDH1A1 1466/4885SMN1; SMN2 3344/4885HPGD 4166/4885

“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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