SCHEMBL10078854

SCHEMBL10078854

CC(C)(C)OC(=O)C[C@@H](N)CSc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
MTNR1A P48039 3/20 0.42
MTNR1B P49286 3/20 0.42
KIF11 P52732 2/20 0.38
PPARG P37231 3/20 0.38
PPARA Q07869 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
MMP2 P08253 3/20 0.38
MMP3 P08254 3/20 0.38
MMP9 P14780 3/20 0.38
MMP13 P45452 2/20 0.38
MMP1 P03956 1/20 0.38
MMP8 P22894 1/20 0.38
FFAR1 O14842 1/20 0.38
PPARD Q03181 2/20 0.37
NPC1 O15118 1/20 0.36

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
SCHEMBL10058379 1.00 MAOA (0.46) MAOAMAOBMTNR1AMTNR1BKIF11
SCHEMBL554680 0.84 MAOA (0.50) MAOAMAOBMTNR1AMTNR1BCYP1A2
SCHEMBL554681 0.84 MAOA (0.50) MAOAMAOBMTNR1AMTNR1BCYP1A2
SCHEMBL5856617 0.82 FFAR1 (0.44) MAOAMAOBMTNR1AMTNR1BPPARG
SCHEMBL10175128 0.79 MAOA (0.55) MAOAMAOBMTNR1AMTNR1BCYP1A2
SCHEMBL25236742 0.78 MAOA (0.53) MAOAMAOBMTNR1AMTNR1BCYP1A2
SCHEMBL25274884 0.78 MAOA (0.53) MAOAMAOBMTNR1AMTNR1BCYP1A2
SCHEMBL2295757 0.78 EPHX1 (0.48) MMP2SLC7A5CA2CA9
SCHEMBL901961 0.78 EPHX1 (0.48) MMP2SLC7A5CA2CA9
SCHEMBL901994 0.78 EPHX1 (0.48) MMP2SLC7A5CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2882439-B1 APOPTOSIS-INDUCING AGENTS ABBVIE INC (US) 2018-04-11 EP disclosed
EP-2882439-A1 APOPTOSIS-INDUCING AGENTS AbbVie Inc. (US) 2015-06-17 EP disclosed
US-8883784-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE INC. (US) 2014-11-11 US disclosed
US-20140073640-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC. 2014-03-13 US disclosed
WO-2014028381-A1 APOPTOSIS-INDUCING AGENTS ABBVIE INC. (US) 2014-02-20 WO disclosed
US-8168645-B2 Arylsulfonamide compounds GENENTECH, INC. (US) 2012-05-01 US disclosed
US-20100056517-A1 ARYLSULFONAMIDE COMPOUNDS GENENTECH, INC. (US) 2010-03-04 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-20140073640-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BAX, BCL2, BCL3 MAOA 4359/4885MAOB 3988/4885MTNR1A 3837/4885
US-20100056517-A1 ARYLSULFONAMIDE COMPOUNDS BCL2A1, BCL2, BAX MAOA 3674/4885MAOB 1408/4885MTNR1A 1681/4885

“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.