SCHEMBL10073241

SCHEMBL10073241

CN(C)S(=O)(=O)NC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
ALDH1A1 P00352 3/20 0.37
HPGD P15428 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 2/20 0.31
POLB P06746 1/20 0.31
KIF11 P52732 1/20 0.31
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL20033227 0.78 CA1 (0.31) CA1CA2
SCHEMBL13653078 0.74
SCHEMBL21761160 0.72 CA1 (0.37) CA1CA2ALDH1A1
SCHEMBL11033710 0.72 CA1 (0.37) CA1CA2ALDH1A1
SCHEMBL20988317 0.70 LMNA (0.40) CA1LMNASMN1; SMN2
SCHEMBL14593912 0.69
SCHEMBL25867700 0.69 ALDH1A1 (0.32) ALDH1A1MAPTSMN1; SMN2
SCHEMBL10486710 0.67 MAPT (0.34) ALDH1A1HPGDMEN1KMT2ALMNA
SCHEMBL246883 0.67
SCHEMBL21761204 0.67 CA1 (0.32) CA1CA2ALDH1A1

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10968199-B2 Cycloalkyl-containing apoptosis signal-regulating kinase 1 inhibitors and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2021-04-06 US disclosed
US-10654802-B2 Indoline derivatives and method for using and producing the same ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNVERSIT (US) 2020-05-19 US disclosed
US-10596184-B2 Aza-heteroaryl compounds as PI3K-gamma inhibitors INCYTE CORPORATION (US) 2020-03-24 US disclosed
US-20200062727-A1 CYCLOALKYL-CONTAINING APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2020-02-27 US disclosed
US-10323061-B2 Heteroaryl containing bile acid analogs as FXR/TGR5 agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2019-06-18 US disclosed
US-20190135746-A1 INDOLINE DERIVATIVES AND METHOD FOR USING AND PRODUCING THE SAME ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNVERSITY OF ARIZONA 2019-05-09 US disclosed
US-10202388-B2 Fused-ring compounds, pharmaceutical composition and uses thereof Shanghai De Novo Pharmatech Co., Ltd. (CN) 2019-02-12 US disclosed
US-10022387-B2 Aza-heteroaryl compounds as PI3K-gamma inhibitors INCYTE CORPORATION (US) 2018-07-17 US disclosed
US-10022387-B2 Aza-heteroaryl compounds as PI3K-gamma inhibitors INCYTE CORPORATION (US) 2018-07-17 US disclosed
US-9938301-B2 Dihydropyrimido fused ring derivative as HBV inhibitor QILU PHARMACEUTICAL CO., LTD. (CN) 2018-04-10 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
US-8114879-B2 4-piperazine-4-piperidine-1-ketone derivatives; graft v. host disease, arthritis, rheumatoid arthritis, inflammatory bowel disease, atopic dermatitis, psoriasis, asthma, allergies or multiple sclerosis; human immunodeficiency viricides SCHERING CORPORATION (US) 2012-02-14 US disclosed
US-7825121-B2 Piperazine derivatives useful as CCR5 antagonists SCHERING CORPORATION (US) 2010-11-02 US disclosed
US-20100113502-A1 Novel Tetrahydro-1H-Pyrido[4,3-b] Indole Derivatives as CB1 Receptor Ligands ASTRAZENECA AB (SE) 2010-05-06 US disclosed
US-7601850-B2 less hypercalcemic than 1a,25 dihydroxy vitamin D3; bone disorders, psoriasis ELI LILLY AND COMPANY (US) 2009-10-13 US disclosed
US-7601850-B2 less hypercalcemic than 1a,25 dihydroxy vitamin D3; bone disorders, psoriasis ELI LILLY AND COMPANY (US) 2009-10-13 US disclosed
US-7504391-B2 Selective D1/D5 receptor antagonists for the treatment of obesity and CNS disorders SCHERING CORPORATION (US) 2009-03-17 US disclosed
US-20080188485-A1 PIPERIDINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS SCHERING CORPORATION 2008-08-07 US disclosed
US-7384944-B2 Piperazine derivatives useful as CCR5 antagonists SCHERING CORPORATION (US) 2008-06-10 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 (11 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-20080188485-A1 PIPERIDINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS CCR5, CXCR3, CCR2 CA1 4688/4885CA2 4099/4885ALDH1A1 2736/4885
US-10654802-B2 Indoline derivatives and method for using and producing the same IDO1, IDO2, MMP1 CA1 4143/4885CA2 3337/4885ALDH1A1 161/4885
US-10596184-B2 Aza-heteroaryl compounds as PI3K-gamma inhibitors PIK3R5, PIK3R1, PIK3R3 CA1 4336/4885CA2 3793/4885ALDH1A1 3781/4885
US-10202388-B2 Fused-ring compounds, pharmaceutical composition and uses thereof IDO1, IDO2, TDO2 CA1 1754/4885CA2 1563/4885ALDH1A1 2128/4885
US-20200062727-A1 CYCLOALKYL-CONTAINING APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS AND METHODS OF USE THEREOF BAD, BCL2, AIFM1 CA1 3839/4885CA2 4202/4885ALDH1A1 1821/4885
US-20190135746-A1 INDOLINE DERIVATIVES AND METHOD FOR USING AND PRODUCING THE SAME IDO1, INMT, MMP1 CA1 4298/4885CA2 3607/4885ALDH1A1 295/4885
US-20100113502-A1 Novel Tetrahydro-1H-Pyrido[4,3-b] Indole Derivatives as CB1 Receptor Ligands CNR1, CNR2, OPRL1 CA1 3166/4885CA2 2017/4885ALDH1A1 1706/4885
US-10968199-B2 Cycloalkyl-containing apoptosis signal-regulating kinase 1 inhibitors and methods of use thereof BAD, BCL2, AIFM1 CA1 3839/4885CA2 4202/4885ALDH1A1 1821/4885
US-10323061-B2 Heteroaryl containing bile acid analogs as FXR/TGR5 agonists and methods of use thereof GPBAR1, NR1H4, SLC10A1 CA1 3328/4885CA2 3210/4885ALDH1A1 2323/4885
US-20140046043-A1 C-4\" POSITION SUBSTITUTED MACROLIDE DERIVATIVE MRPL21, MRPS34, MRPL37 CA1 4853/4885CA2 3908/4885ALDH1A1 4667/4885
US-10022387-B2 Aza-heteroaryl compounds as PI3K-gamma inhibitors PIK3R5, PIK3R1, PIK3R3 CA1 4336/4885CA2 3793/4885ALDH1A1 3781/4885

“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.