SCHEMBL16689151

SCHEMBL16689151

COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(C)(C)C

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.65
ALDH1A1 P00352 4/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
GPBAR1 Q8TDU6 1/20 0.58
KDM4E B2RXH2 1/20 0.58
TSHR P16473 1/20 0.58
LMNA P02545 1/20 0.56
MAPT P10636 1/20 0.52
GAA P10253 1/20 0.52
MCOLN3 Q8TDD5 1/20 0.51

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
SCHEMBL8263589 0.82 LMNA (0.81) L3MBTL1ALDH1A1SMN1; SMN2GPBAR1KDM4E
SCHEMBL16372111 0.81 L3MBTL1 (0.68) L3MBTL1ALDH1A1SMN1; SMN2GPBAR1KDM4E
SCHEMBL29285658 0.80 L3MBTL1 (0.67) L3MBTL1ALDH1A1SMN1; SMN2GPBAR1KDM4E
SCHEMBL23144453 0.78 ALDH1A1 (0.73) L3MBTL1ALDH1A1SMN1; SMN2GPBAR1KDM4E
SCHEMBL1491825 0.78 L3MBTL1 (0.72) L3MBTL1ALDH1A1GPBAR1KDM4ETSHR
SCHEMBL29811463 0.78 ALDH1A1 (0.73) L3MBTL1ALDH1A1SMN1; SMN2GPBAR1KDM4E
SCHEMBL4184681 0.78 GPBAR1 (0.90) L3MBTL1ALDH1A1SMN1; SMN2GPBAR1KDM4E
SCHEMBL3830421 0.78 GPBAR1 (0.90) L3MBTL1ALDH1A1SMN1; SMN2GPBAR1KDM4E
SCHEMBL1645604 0.77 APEX1 (0.72) L3MBTL1GPBAR1KDM4ETSHRLMNA
SCHEMBL16371970 0.77 VCAM1 (0.70) L3MBTL1GPBAR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170305899-A1 ANTIBIOTIC COMPOUNDS AND COMPOSITIONS, AND METHODS FOR IDENTIFICATION THEREOF HUTCHINSON FRED CANCER RES (US) 2017-10-26 US disclosed
US-20170305899-A1 ANTIBIOTIC COMPOUNDS AND COMPOSITIONS, AND METHODS FOR IDENTIFICATION THEREOF HUTCHINSON FRED CANCER RES (US) 2017-10-26 US disclosed
US-20150126519-A1 ANTIBIOTIC COMPOUNDS AND COMPOSITIONS, AND METHODS FOR IDENTIFICATION THEREOF NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2015-05-07 US disclosed
US-20150126519-A1 ANTIBIOTIC COMPOUNDS AND COMPOSITIONS, AND METHODS FOR IDENTIFICATION THEREOF NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2015-05-07 US 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 (2 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-20170305899-A1 ANTIBIOTIC COMPOUNDS AND COMPOSITIONS, AND METHODS FOR IDENTIFICATION THEREOF BLM, DNA2, DCLRE1B L3MBTL1 1807/4885ALDH1A1 2061/4885SMN1; SMN2 3323/4885
US-20150126519-A1 ANTIBIOTIC COMPOUNDS AND COMPOSITIONS, AND METHODS FOR IDENTIFICATION THEREOF BLM, DNA2, DCLRE1B L3MBTL1 1807/4885ALDH1A1 2061/4885SMN1; SMN2 3323/4885

“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.