SCHEMBL17921132

SCHEMBL17921132

CC(=O)C(CCNC(=O)c1ccc(-c2ccc(Br)s2)s1)S(C)(=O)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 2/20 0.49
▸ GAA P10253 2/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ KDM4E B2RXH2 3/20 0.48
▸ ESR1 P03372 2/20 0.48
▸ KMT2A Q03164 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ ACKR3 P25106 3/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HPGD P15428 4/20 0.37
▸ POLB P06746 2/20 0.36
▸ JMJD7 P0C870 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ STAT3 P40763 1/20 0.36
▸ STAT1 P42224 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ AKT3 Q9Y243 2/20 0.36

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
SCHEMBL16512631 0.90 RXFP1 (0.48) RXFP1GAANPSR1KDM4EESR1
SCHEMBL17921134 0.87 POLB (0.43) RXFP1GAANPSR1KDM4EESR1
SCHEMBL17921128 0.84 NPC1 (0.41) RXFP1GAANPSR1KDM4EESR1
SCHEMBL17921133 0.84 HDAC1 (0.52) GAAKDM4EESR1KMT2AALDH1A1
SCHEMBL17921141 0.83 HDAC1 (0.51) GAAKDM4EESR1KMT2AALDH1A1
SCHEMBL16511766 0.78 NAMPT (0.44) RXFP1GAANPSR1KDM4EESR1
SCHEMBL17921137 0.77 GAA (0.49) RXFP1GAANPSR1KDM4EESR1
SCHEMBL17921161 0.76 LMNA (0.33) RXFP1KDM4EALDH1A1L3MBTL1HPGD
SCHEMBL16511786 0.76 HDAC1 (0.56) RXFP1GAANPSR1KDM4EESR1
SCHEMBL17921183 0.75 LMNA (0.35) RXFP1KDM4EALDH1A1L3MBTL1HPGD

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 RXFP1 47/4885GAA 587/4885NPSR1 987/4885

“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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