SCHEMBL722368

SCHEMBL722368

O=C(O)C1=CCCC[C@H]1S(=O)(=O)Nc1ccc(F)cc1Cl

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 9/20 0.73
KMT2A Q03164 2/20 0.44
HPGD P15428 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
PYGL P06737 2/20 0.38
MRGPRX1 Q96LB2 1/20 0.37
ACLY P53396 1/20 0.37
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL872269 1.00 TLR4 (0.73) TLR4KMT2AHPGDNPC1RAB9A
SCHEMBL3690868 1.00 TLR4 (0.73) TLR4KMT2AHPGDNPC1RAB9A
SCHEMBL27592234 0.97 TLR4 (0.73) TLR4KMT2AHPGDNPC1RAB9A
SCHEMBL27592449 0.93 TLR4 (0.72) TLR4KMT2AHPGDNPC1RAB9A
SCHEMBL28159349 0.88 TLR4 (0.58) TLR4NPC1RAB9AMRGPRX1ACLY
SCHEMBL6229405 0.88 TLR4 (0.58) TLR4KMT2AHPGDNPC1RAB9A
SCHEMBL872918 0.88 TLR4 (0.58) TLR4NPC1RAB9AMRGPRX1ACLY
SCHEMBL16950256 0.88 TLR4 (0.66) TLR4KMT2ANPC1RAB9AMRGPRX1
SCHEMBL6053336 0.86 TLR4 (0.61) TLR4KMT2ANPC1RAB9AACLY
SCHEMBL13911749 0.86 TLR4 (0.56) TLR4NPC1RAB9AMRGPRX1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110075099-B Application of cyclohexene derivative in preparation of drug for resisting duck hepatitis virus type I 福建农林大学 2023-01-10 CN claimed
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 claimed
EP-2528598-B1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI - CANCER AGENT TAKEDA PHARMACEUTICAL (JP) 2016-01-13 EP claimed
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 claimed
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 claimed
US-20130046000-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT TAKEDA PHARMACEUTICAL COMPANY LIMITED 2013-02-21 US claimed
CN-102821763-A Compound for inhibiting peripheral nerve disorder induced by anticancer agent TAKEDA PHARMACEUTICAL 2012-12-12 CN claimed
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 claimed
US-20120302526-A1 METHODS FOR TREATING POST-TRAUMATIC STRESS DISORDER REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE 2012-11-29 US claimed
EP-2255785-A2 Stable emulsion composition Takeda Pharmaceutical Company Limited (JP) 2010-12-01 EP claimed
CN-1416341-B Stable emulsion compositions TAKEDA CHEMICAL INDUSTRIES LTD 2010-05-05 CN claimed
US-20090105314-A1 Pharmaceutical Agent TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-04-23 US claimed
EP-2018855-A1 PHARMACEUTICAL AGENT Takeda Pharmaceutical Company Limited (JP) 2009-01-28 EP claimed
EP-1875926-A1 STABLE EMULSION COMPOSITION Takeda Pharmaceutical Company Limited (JP) 2008-01-09 EP claimed
CN-1416341-A Stable emulsion compsns TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-05-07 CN claimed
EP-3406242-B1 TLR44 ANTAGONIST FOR USE IN THE TREATMENT OF INCREASED AMMONIA PLASMA LEVELS YAQRIT LTD (GB) 2023-06-07 EP disclosed
US-20230136299-A1 TREATMENT OF LIVER FAILURE HEPYX LIMITED (GB) 2023-05-04 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
EP-1348443-A1 COMBINATION DRUGS Takeda Chemical Industries, Ltd. (JP) 2003-10-01 EP disclosed
CN-1416341-A Stable emulsion compsns TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-05-07 CN 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 (6 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 3281/4885HPGD 1096/4885
US-20040063685-A1 Cycloalkene antisepsis drug with antibacterial, antifungal, nonsteroidal antiinflammatory, steroid and/or anticoagulant agents ELANE, MMP8, SERPINC1 TLR4 567/4885KMT2A 4510/4885HPGD 466/4885
US-20090105314-A1 Pharmaceutical Agent TLR1, TLR6, TPMT TLR4 8/4885KMT2A 1777/4885HPGD 2731/4885
US-20120302526-A1 METHODS FOR TREATING POST-TRAUMATIC STRESS DISORDER FKBP4, CRH, FKBP5 TLR4 2073/4885KMT2A 2909/4885HPGD 411/4885
US-20130046000-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT PMP22, GAP43, NGF TLR4 2222/4885KMT2A 3281/4885HPGD 1096/4885
US-20160166526-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT PMP22, GAP43, NGF TLR4 2222/4885KMT2A 3281/4885HPGD 1096/4885

“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.