SCHEMBL10161192

SCHEMBL10161192

Cc1c(C(=O)Oc2ccccc2)c(OC(=O)OC(C)(C)C)c2cc(Br)ccc2c1Cl

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
GAA P10253 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX12 P18054 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
ELANE P08246 1/20 0.34
PTGFR P43088 15/20 0.34
PTK2B Q14289 1/20 0.33

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
SCHEMBL10161222 0.89 MEN1 (0.35) MAPTSMN1; SMN2MEN1NPC1ALDH1A1
SCHEMBL10160980 0.89 MEN1 (0.39) MAPTSMN1; SMN2MEN1NPC1ALDH1A1
SCHEMBL10160888 0.88 MAPT (0.34) MAPTSMN1; SMN2MEN1NPC1ALDH1A1
SCHEMBL10160934 0.85 SOS1 (0.33) MAPTSMN1; SMN2MEN1NPC1ALDH1A1
SCHEMBL10161197 0.85 MAPT (0.41) MAPTSMN1; SMN2MEN1NPC1ALDH1A1
SCHEMBL10160928 0.84 MMP13 (0.33) MAPTSMN1; SMN2MEN1NPC1ALDH1A1
SCHEMBL10161069 0.83 ALDH1A1 (0.32) MAPTSMN1; SMN2MEN1NPC1ALDH1A1
SCHEMBL10160466 0.82 MAPT (0.36) MAPTSMN1; SMN2MEN1NPC1ALDH1A1
SCHEMBL10160922 0.81 ALOX5 (0.31) MAPTSMN1; SMN2MEN1NPC1ALDH1A1
SCHEMBL10160927 0.80

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 MAPT 734/4885SMN1; SMN2 3883/4885MEN1 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.