SCHEMBL872213

SCHEMBL872213

CCOC(=O)C1=CCCCC1S(=O)(=O)Nc1ccc(-n2ccnn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 7/20 0.51
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HPGD P15428 3/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.37
ESR2 Q92731 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RECQL P46063 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MAPT P10636 2/20 0.36
MAPK8 P45983 1/20 0.36
MAPK10 P53779 1/20 0.36
RAB9A P51151 1/20 0.35

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
SCHEMBL872041 0.87 TLR4 (0.51) TLR4MEN1KMT2AHPGDALDH1A1
SCHEMBL27883064 0.86 MAPK10 (0.38) TLR4L3MBTL1MAPTMAPK8MAPK10
SCHEMBL873316 0.85 TLR4 (0.55) TLR4MEN1KMT2AHPGDALDH1A1
SCHEMBL873236 0.84 TLR4 (0.52) TLR4MEN1KMT2AHPGDALDH1A1
SCHEMBL871966 0.80 TLR4 (0.71) TLR4MEN1KMT2AHPGDALDH1A1
SCHEMBL871525 0.80 TLR4 (0.71) TLR4HPGDALDH1A1RECQLGAA
SCHEMBL872429 0.80 TLR4 (0.60) TLR4MEN1KMT2AHPGDALDH1A1
SCHEMBL871427 0.80 TLR4 (0.62) TLR4KMT2AHPGDALDH1A1POLB
SCHEMBL23417844 0.77 TLR4 (0.56) TLR4MEN1KMT2AHPGDALDH1A1
SCHEMBL871862 0.77 TLR4 (0.56) TLR4MEN1KMT2AHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160166526-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-16 US disclosed
US-20150203464-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-07-23 US disclosed
US-20150051256-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-19 US disclosed
US-8901171-B2 Compounds for suppressing a peripheral nerve disorder induced by an anti-cancer agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-02 US disclosed
US-8669274-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2014-03-11 US disclosed
US-8669274-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2014-03-11 US disclosed
US-20130345304-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-12-26 US disclosed
US-20130046000-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT TAKEDA PHARMACEUTICAL COMPANY LIMITED 2013-02-21 US disclosed
WO-2012082746-A2 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-06-21 WO disclosed
US-20120149729-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
EP-1495756-A1 SEVERE SEPSIS PREVENTIVE THERAPEUTIC AGENT Takeda Chemical Industries, Ltd. (JP) 2005-01-12 EP disclosed
US-20040253276-A1 Stable emulsion composition TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-12-16 US disclosed
US-20040063685-A1 Cycloalkene antisepsis drug with antibacterial, antifungal, nonsteroidal antiinflammatory, steroid and/or anticoagulant agents TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-01 US disclosed
US-20030216475-A1 Pharmaceutical composition TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-11-20 US disclosed
US-20030212114-A1 Stable emulsion compositions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-11-13 US disclosed
EP-1348443-A1 COMBINATION DRUGS Takeda Chemical Industries, Ltd. (JP) 2003-10-01 EP disclosed
EP-1310248-A1 PHARMACEUTICAL COMPOSITION Takeda Chemical Industries, Ltd. (JP) 2003-05-14 EP disclosed
US-6495604-B1 SUCH AS D-ETHYL-6-(N-(2,4-DIFLUOROPHENYL)SULFAMOYL)-1-CYCLOHEXENE-1-CARBOXYLATE FOR INHIBITING NITRIC OXIDE AND/OR CYTOKINE PRODUCTION; FOR PREVENTING OR TREATING CARDIAC DISEASE, AUTOIMMUNE DISEASE OR SEPTIC SHOCK TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-12-17 US disclosed
EP-1254659-A1 STABLE EMULSION COMPOSITIONS Takeda Chemical Industries, Ltd. (JP) 2002-11-06 EP disclosed
EP-1063228-A1 CYCLOALKENE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2000-12-27 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 (10 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-20130345304-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT PMP22, GAP43, NGF TLR4 2222/4885MEN1 1684/4885KMT2A 3281/4885
US-20040063685-A1 Cycloalkene antisepsis drug with antibacterial, antifungal, nonsteroidal antiinflammatory, steroid and/or anticoagulant agents ELANE, MMP8, SERPINC1 TLR4 567/4885MEN1 3104/4885KMT2A 4510/4885
US-20030212114-A1 Stable emulsion compositions AHR, NR1H2, NR1H3 TLR4 2050/4885MEN1 2874/4885KMT2A 767/4885
US-20150203464-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT PMP22, GAP43, NGF TLR4 2222/4885MEN1 1684/4885KMT2A 3281/4885
US-20130046000-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT PMP22, GAP43, NGF TLR4 2222/4885MEN1 1684/4885KMT2A 3281/4885
US-20160166526-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT PMP22, GAP43, NGF TLR4 2222/4885MEN1 1684/4885KMT2A 3281/4885
US-20120149729-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO TLR4 4255/4885MEN1 511/4885KMT2A 1886/4885
US-20040253276-A1 Stable emulsion composition PHOSPHO1, SGMS1, SGMS2 TLR4 3985/4885MEN1 785/4885KMT2A 3252/4885
US-20030216475-A1 Pharmaceutical composition ARRB1, ADRA1B, ADRB1 TLR4 2126/4885MEN1 2960/4885KMT2A 4037/4885
US-20150051256-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT PMP22, GAP43, NGF TLR4 2222/4885MEN1 1684/4885KMT2A 3281/4885

“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.