SCHEMBL7925092

SCHEMBL7925092

CC(C)(C)OC(=O)c1ccc(NC(=O)CS)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ RAB9A P51151 4/20 0.49
▸ STAT3 P40763 2/20 0.48
▸ TMPRSS6 Q8IU80 2/20 0.47
▸ F2 P00734 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ HTR1A P08908 1/20 0.46
▸ HTR7 P34969 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ HPGD P15428 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPT P10636 1/20 0.44

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
SCHEMBL17368421 0.86 RAB9A (0.57) MEN1KMT2ARAB9ASTAT3TMPRSS6
SCHEMBL14116517 0.84 MEN1 (0.54) MEN1KMT2ARAB9ASTAT3TMPRSS6
SCHEMBL21639611 0.84 KMT2A (0.58) MEN1KMT2ARAB9ASTAT3TMPRSS6
SCHEMBL7925081 0.84 CYP17A1 (0.52) MEN1KMT2AMAPT
SCHEMBL5803982 0.83 MEN1 (0.77) MEN1KMT2ARAB9ANPC1HPGD
SCHEMBL17368420 0.83 TP53 (0.58) MEN1KMT2ARAB9ATSHRHTR1A
SCHEMBL7934460 0.82 F2 (0.50) MEN1KMT2ARAB9ATMPRSS6F2
SCHEMBL25733667 0.81 MEN1 (0.54) MEN1KMT2ARAB9ASTAT3TMPRSS6
SCHEMBL16639670 0.80 KMT2A (0.54) MEN1KMT2ASTAT3TSHRHPGD
SCHEMBL11914007 0.80 HTR1A (0.53) MEN1KMT2ARAB9ATMPRSS6F2

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-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT ABSOLUTE SCIENCE, INC. (US) 2011-08-04 — — US disclosed
US-20110034521-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-02-10 — — US disclosed
WO-2010033360-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT 1/3 ABSOLUTE SCIENCE, INC. (US) 2010-03-25 — — WO disclosed
WO-2009045761-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES ABSOLUTE SCIENCE, INC. (US) 2009-04-09 — — 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 (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-20110034521-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES MMP7, MMP3, MMP9 MEN1 938/4885KMT2A 799/4885RAB9A 3098/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 MEN1 1392/4885KMT2A 3093/4885RAB9A 1619/4885

“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.

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