SCHEMBL10160980

SCHEMBL10160980

COc1c(C)c(C(=O)Oc2ccccc2)c(OC(=O)OC(C)(C)C)c2cc(Br)ccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX12 P18054 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 1/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35

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
SCHEMBL10161192 0.89 MAPT (0.36) MEN1NPC1ALDH1A1CYP1A2GAA
SCHEMBL10161222 0.88 MEN1 (0.35) MEN1NPC1ALDH1A1CYP1A2GAA
SCHEMBL10160888 0.87 MAPT (0.34) MEN1NPC1ALDH1A1CYP1A2GAA
SCHEMBL10161069 0.86 ALDH1A1 (0.32) MEN1NPC1ALDH1A1CYP1A2GAA
SCHEMBL10160934 0.84 SOS1 (0.33) MEN1NPC1ALDH1A1CYP1A2GAA
SCHEMBL10160928 0.84 MMP13 (0.33) MEN1NPC1ALDH1A1CYP1A2GAA
SCHEMBL18750603 0.83 ELANE (0.38) NPC1ALDH1A1CYP1A2GAAMAPT
SCHEMBL10160979 0.82 MAPT (0.43) MEN1NPC1ALDH1A1CYP1A2GAA
SCHEMBL10160466 0.81 MAPT (0.36) MEN1NPC1ALDH1A1CYP1A2GAA
SCHEMBL10160922 0.81 ALOX5 (0.31) MEN1NPC1ALDH1A1CYP1A2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3461809-A1 TETRACYCLINE COMPOUNDS Tetraphase Pharmaceuticals, Inc. (US) 2019-04-03 EP disclosed
US-20170305852-A1 Tetracyline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2017-10-26 US disclosed
US-20170305852-A1 Tetracyline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2017-10-26 US disclosed
US-9573895-B2 Tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2017-02-21 US disclosed
US-9573895-B2 Tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2017-02-21 US disclosed
US-20160107988-A1 Tetracycline Compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2016-04-21 US disclosed
US-20160107988-A1 Tetracycline Compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2016-04-21 US disclosed
WO-2014036502-A2 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. (US) 2014-03-06 WO disclosed
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 (3 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-20170305852-A1 Tetracyline Compounds SLC10A1, CYP3A7, TAAR5 MEN1 1196/4885NPC1 318/4885ALDH1A1 1796/4885
US-20160107988-A1 Tetracycline Compounds TREH, TUBB, TUBB6 MEN1 2507/4885NPC1 1087/4885ALDH1A1 2506/4885
US-20120115819-A1 Pentacycline Compounds TSLP, IL5, IL17A MEN1 3624/4885NPC1 3978/4885ALDH1A1 1598/4885

“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.