SCHEMBL10160928

SCHEMBL10160928

Cc1c(C(=O)Oc2ccccc2)c(OC(=O)OC(C)(C)C)c2cc(Br)ccc2c1N(C)C(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX12 P18054 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ELANE P08246 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
TP53 P04637 1/20 0.31
PTGFR P43088 6/20 0.30
RAB9A P51151 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
BRD4 O60885 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL10160888 0.92 MAPT (0.34) MMP13KMT2AMEN1ALDH1A1NPC1
SCHEMBL10160934 0.92 SOS1 (0.33) MMP13KMT2AMEN1ALDH1A1NPC1
SCHEMBL10160927 0.85
SCHEMBL10161192 0.84 MAPT (0.36) KMT2AMEN1ALDH1A1NPC1CYP1A2
SCHEMBL10160922 0.84 ALOX5 (0.31) KMT2AMEN1ALDH1A1NPC1CYP1A2
SCHEMBL10160980 0.84 MEN1 (0.39) KMT2AMEN1ALDH1A1NPC1CYP1A2
SCHEMBL10161222 0.84 MEN1 (0.35) KMT2AMEN1ALDH1A1NPC1CYP1A2
SCHEMBL10161321 0.81 DHODH (0.35) MMP13CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL10161069 0.78 ALDH1A1 (0.32) KMT2AMEN1ALDH1A1NPC1CYP1A2
SCHEMBL10160466 0.77 MAPT (0.36) KMT2AMEN1ALDH1A1NPC1CYP1A2

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-20120115819-A1 Pentacycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2012-05-10 US disclosed
US-20120115819-A1 Pentacycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2012-05-10 US disclosed
WO-2010132670-A2 PENTACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. (US) 2010-11-18 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-20120115819-A1 Pentacycline Compounds TSLP, IL5, IL17A MMP13 698/4885KMT2A 2615/4885MEN1 3624/4885

“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.