SCHEMBL11209446

SCHEMBL11209446

COc1cccc(S(=O)(=O)NC(C)(C)C)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.65
KDM4E B2RXH2 1/20 0.65
MEN1 O00255 1/20 0.65
NPC1 O15118 1/20 0.65
MAPT P10636 1/20 0.65
HPGD P15428 1/20 0.65
RAB9A P51151 1/20 0.65
KMT2A Q03164 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
KEAP1 Q14145 2/20 0.57
NFE2L2 Q16236 2/20 0.57
FFAR4 Q5NUL3 1/20 0.57
PGR P06401 2/20 0.55
MEP1B Q16820 1/20 0.54
GAA P10253 1/20 0.52
RORA P35398 1/20 0.51
RORC P51449 1/20 0.51
NR1H2 P55055 1/20 0.51
ALDH1A1 P00352 2/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL24926381 0.84 PARG (0.55) LMNAKDM4EMEN1NPC1MAPT
SCHEMBL8478768 0.84 MAPT (0.61) LMNAKDM4EMEN1NPC1MAPT
SCHEMBL14676154 0.83 MEP1B (0.54) LMNAKEAP1NFE2L2FFAR4PGR
SCHEMBL11210384 0.82 SMN1; SMN2 (0.49) LMNAKDM4EMEN1NPC1MAPT
SCHEMBL24927353 0.82 DUT (0.56) LMNAKDM4EMEN1NPC1MAPT
SCHEMBL29909928 0.81 KEAP1 (0.62) LMNAKEAP1NFE2L2FFAR4PGR
SCHEMBL12561642 0.81 KEAP1 (0.62) LMNAKEAP1NFE2L2FFAR4PGR
SCHEMBL14205533 0.79 KEAP1 (0.60) LMNAKEAP1NFE2L2FFAR4PGR
SCHEMBL421587 0.79 KEAP1 (0.60) LMNAKEAP1NFE2L2FFAR4PGR
SCHEMBL2018411 0.79 LMNA (0.69) LMNAKDM4EMEN1NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230031954-A1 TETRACYCLINE COMPOUNDS AND METHODS OF TREATMENT TETRAPHASE PHARMACEUTICALS, INC. 2023-02-02 US disclosed
US-20220153734-A1 Pyrazolopyridine Compounds For IRE1 Inhibition Optikira, LLC 2022-05-19 US disclosed
US-9139609-B2 C-4″ position substituted macrolide derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-09-22 US disclosed
US-20140046043-A1 C-4\" POSITION SUBSTITUTED MACROLIDE DERIVATIVE MEIJI SEIKA PHARMA CO., LTD. (JP) 2014-02-13 US disclosed
EP-0038458-B1 4-HYDROXY-1,2-BENZISOTHIAZOL-3(2H)-ONE-1,1-DIOXIDE, THEIR SALTS, THEIR PREPARATION AND THEIR UTILIZATION Dr. Karl Thomae GmbH (DE) 1983-09-21 EP disclosed
EP-0038458-A1 4-Hydroxy-1,2-benzisothiazol-3(2H)-one-1,1-dioxide, their salts, their preparation and their utilization Dr. Karl Thomae GmbH (DE) 1981-10-28 EP 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-20230031954-A1 TETRACYCLINE COMPOUNDS AND METHODS OF TREATMENT MCL1, ABL1, MALT1 LMNA 1638/4885KDM4E 378/4885MEN1 196/4885
US-20220153734-A1 Pyrazolopyridine Compounds For IRE1 Inhibition XBP1, ERN1, ERN2 LMNA 1449/4885KDM4E 1043/4885MEN1 3912/4885
US-20140046043-A1 C-4\" POSITION SUBSTITUTED MACROLIDE DERIVATIVE MRPL21, MRPS34, MRPL37 LMNA 489/4885KDM4E 988/4885MEN1 1302/4885

“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.