SCHEMBL872541

SCHEMBL872541

CCOC(=O)C1=CCCCC1S(=O)(=O)Nc1ccccc1CC

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 8/20 0.64
KMT2A Q03164 2/20 0.40
TSHR P16473 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 1/20 0.40
MRGPRX1 Q96LB2 2/20 0.39
LMNA P02545 3/20 0.38
HPGD P15428 1/20 0.38
RECQL P46063 1/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
THRB P10828 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL872228 0.89 TLR4 (0.64) TLR4KMT2ATSHRKDM4EHSD17B10
SCHEMBL872015 0.88 TLR4 (0.75) TLR4KMT2ATSHRKDM4EHSD17B10
SCHEMBL872915 0.88 TLR4 (0.75) TLR4KMT2ATSHRKDM4EHSD17B10
SCHEMBL871808 0.88 TLR4 (0.63) TLR4KMT2ATSHRKDM4EHSD17B10
SCHEMBL871405 0.87 TLR4 (0.62) TLR4KMT2ATSHRKDM4EHSD17B10
SCHEMBL27592263 0.86 TLR4 (0.48) TLR4KMT2ATSHRKDM4EMRGPRX1
SCHEMBL871581 0.85 TLR4 (0.63) TLR4KMT2ATSHRKDM4EHSD17B10
SCHEMBL871427 0.85 TLR4 (0.62) TLR4KMT2ATSHRHPGDRECQL
SCHEMBL871875 0.84 TLR4 (0.69) TLR4KMT2ATSHRKDM4EHSD17B10
SCHEMBL872583 0.84 TLR4 (0.69) TLR4KMT2ATSHRKDM4EHSD17B10

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 40 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-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
EP-2528598-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI - CANCER AGENT Takeda Pharmaceutical Company Limited (JP) 2012-12-05 EP disclosed
US-20120077856-A1 PHARMACEUTICAL PRODUCT TAKEDA PHARMACEUTICAL COMPANY LIMITED 2012-03-29 US disclosed
EP-2366389-A1 Severe sepsis preventive therapeutic agent Takeda Pharmaceutical Company Limited (JP) 2011-09-21 EP disclosed
WO-2011093512-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI - CANCER AGENT TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-04 WO disclosed
EP-1420783-A1 STABLE EMULSION COMPOSITION Takeda Chemical Industries, Ltd. (JP) 2004-05-26 EP 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
WO-2003013513-A1 STABLE EMULSION COMPOSITION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-02-20 WO 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 (9 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 2222/4885KMT2A 3281/4885TSHR 4293/4885
US-20040063685-A1 Cycloalkene antisepsis drug with antibacterial, antifungal, nonsteroidal antiinflammatory, steroid and/or anticoagulant agents ELANE, MMP8, SERPINC1 TLR4 567/4885KMT2A 4510/4885TSHR 4051/4885
US-20030212114-A1 Stable emulsion compositions AHR, NR1H2, NR1H3 TLR4 2050/4885KMT2A 767/4885TSHR 2457/4885
US-20150203464-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT PMP22, GAP43, NGF TLR4 2222/4885KMT2A 3281/4885TSHR 4293/4885
US-20130046000-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT PMP22, GAP43, NGF TLR4 2222/4885KMT2A 3281/4885TSHR 4293/4885
US-20160166526-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT PMP22, GAP43, NGF TLR4 2222/4885KMT2A 3281/4885TSHR 4293/4885
US-20030216475-A1 Pharmaceutical composition ARRB1, ADRA1B, ADRB1 TLR4 2126/4885KMT2A 4037/4885TSHR 1708/4885
US-20120077856-A1 PHARMACEUTICAL PRODUCT ATF1, ATF4, TLR8 TLR4 13/4885KMT2A 1646/4885TSHR 3079/4885
US-20150051256-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT PMP22, GAP43, NGF TLR4 2222/4885KMT2A 3281/4885TSHR 4293/4885

“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.