SCHEMBL1815270

SCHEMBL1815270

COC(=O)c1cc(N)cnc1SCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
ALDH1A1 P00352 6/20 0.53
TDP1 Q9NUW8 1/20 0.53
CYP2C9 P11712 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.46
TSHR P16473 2/20 0.46
NPC1 O15118 1/20 0.46
NFKB1 P19838 1/20 0.46
RAB9A P51151 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
TP53 P04637 2/20 0.43
MMP2 P08253 1/20 0.41
FFAR1 O14842 1/20 0.41
MAPK1 P28482 1/20 0.41
PPARG P37231 1/20 0.40
CFTR P13569 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HPGD P15428 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
SCHEMBL20872831 0.85 L3MBTL1 (0.65) PKML3MBTL1ALDH1A1TDP1CYP2C9
SCHEMBL1816404 0.82 L3MBTL1 (0.61) PKML3MBTL1ALDH1A1TDP1CYP2C9
SCHEMBL8630241 0.79 L3MBTL1 (1.00) PKML3MBTL1ALDH1A1TDP1CYP2C9
SCHEMBL1819520 0.78 PKM (0.57) PKML3MBTL1ALDH1A1TDP1CYP2C9
SCHEMBL27002710 0.78 RAB9A (0.42) PKML3MBTL1ALDH1A1TDP1SMN1; SMN2
SCHEMBL9086314 0.77 L3MBTL1 (0.51) PKML3MBTL1ALDH1A1TDP1SMN1; SMN2
SCHEMBL1816092 0.76 PTPN11 (0.44) PKML3MBTL1ALDH1A1TDP1CYP2C9
SCHEMBL1819037 0.76 ALDH1A1 (0.46) PKML3MBTL1ALDH1A1TDP1CYP2C9
SCHEMBL1820035 0.75 NPSR1 (0.43) PKML3MBTL1ALDH1A1CYP2C9SMN1; SMN2
SCHEMBL31568285 0.74 ALDH1A1 (0.64) PKML3MBTL1ALDH1A1TDP1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110212918-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
WO-2011060199-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-05-19 WO 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-20110212918-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BCL6, BTD PKM 4195/4885L3MBTL1 270/4885ALDH1A1 4190/4885

“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.