SCHEMBL17921135

SCHEMBL17921135

CC(=O)C(C)(CCNC(=O)c1ccc(-c2cccs2)s1)S(C)(=O)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.51
▸ KDM4E B2RXH2 6/20 0.49
▸ GAA P10253 5/20 0.49
▸ ALDH1A1 P00352 4/20 0.49
▸ LMNA P02545 2/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ GLA P06280 1/20 0.49
▸ RAB9A P51151 5/20 0.44
▸ NPC1 O15118 4/20 0.44
▸ CTSB P07858 1/20 0.43
▸ CTSS P25774 1/20 0.43
▸ CTSK P43235 1/20 0.43
▸ CTSF Q9UBX1 1/20 0.43
▸ HPGD P15428 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ POLB P06746 3/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ NFKB1 P19838 1/20 0.42

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
SCHEMBL17921136 0.99 HDAC1 (0.50) HDAC1KDM4EGAAALDH1A1LMNA
SCHEMBL16511781 0.89 HDAC1 (0.55) HDAC1KDM4EGAAALDH1A1LMNA
SCHEMBL16512627 0.89 HDAC1 (0.54) HDAC1KDM4EGAAALDH1A1LMNA
SCHEMBL17921137 0.85 GAA (0.49) KDM4EGAAALDH1A1LMNAL3MBTL1
SCHEMBL17921150 0.85 POLB (0.45) KDM4EGAAALDH1A1LMNAL3MBTL1
SCHEMBL17921129 0.81 CHRM4 (0.46) HDAC1KDM4EALDH1A1L3MBTL1MAPT
SCHEMBL17921164 0.79 ALDH1A1 (0.46) HDAC1KDM4EGAAALDH1A1LMNA
SCHEMBL17921170 0.78 DPP4 (0.46) HDAC1KDM4EGAAALDH1A1LMNA
SCHEMBL17921174 0.78 ALDH1A1 (0.45) HDAC1KDM4EGAAALDH1A1LMNA
SCHEMBL17921151 0.77 DPP4 (0.45) HDAC1KDM4EGAAALDH1A1LMNA

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-20160200673-A1 Antibacterial Compounds DUKE UNIVERSITY 2016-07-14 — — 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-20160200673-A1 Antibacterial Compounds Q6ZSR9, MRPL21, XDH HDAC1 754/4885KDM4E 4306/4885GAA 587/4885

“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.

Send feedback