SCHEMBL872489

SCHEMBL872489

CC(C)(C)OC(=O)NC(=N)N(Cc1cc[c]cc1)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.38
CTSS P25774 5/20 0.37
CTSL P07711 3/20 0.37
CTSB P07858 3/20 0.37
IDO1 P14902 1/20 0.34
PTGES O14684 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
CTSK P43235 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
GRM2 Q14416 1/20 0.31
KCNQ4 P56696 1/20 0.31
KCNQ5 Q9NR82 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL29598272 0.87 AKT1 (0.51) AKT1CTSSCTSLCTSBIDO1
SCHEMBL8602865 0.86 CTSS (0.40) AKT1CTSSCTSLCTSBIDO1
SCHEMBL8487620 0.85 AKT1 (0.38) AKT1CTSSCTSLCTSBIDO1
SCHEMBL29850318 0.85 AKT1 (0.41) AKT1CTSSCTSLCTSBIDO1
SCHEMBL17104382 0.83 AKT1 (0.37) AKT1CTSSCTSLCTSBIDO1
SCHEMBL206549 0.80 PTGES (0.40) AKT1CTSSCTSLCTSBIDO1
SCHEMBL29431822 0.79 PTGES (0.40) AKT1CTSSCTSLCTSBIDO1
SCHEMBL7456820 0.79 CTSB (0.44) AKT1CTSSCTSLCTSBIDO1
SCHEMBL1173721 0.79 AKT1 (0.40) AKT1CTSSCTSLCTSBIDO1
SCHEMBL3118480 0.78 AKT1 (0.35) AKT1PTGESHDAC3HDAC1HDAC2

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 50 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
CN-104744321-A Compounds for suppressing a peripheral nerve disorder induced by an anti - cancer agent TAKEDA PHARMACEUTICAL 2015-07-01 CN 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
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-1334966-A1 PROCESS FOR PREPARATION OF OPTICALLY ACTIVE SULFONAMIDES AND INTERMEDIATES FOR THEIR SYNTHESIS Takeda Chemical Industries, Ltd. (JP) 2003-08-13 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-1209149-A1 SUBSTITUTED AROMATIC-RING COMPOUNDS, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2002-05-29 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 (8 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 AKT1 3619/4885CTSS 3040/4885CTSL 3766/4885
US-20030212114-A1 Stable emulsion compositions AHR, NR1H2, NR1H3 AKT1 494/4885CTSS 2642/4885CTSL 3307/4885
US-20150203464-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT PMP22, GAP43, NGF AKT1 3619/4885CTSS 3040/4885CTSL 3766/4885
US-20130046000-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT PMP22, GAP43, NGF AKT1 3619/4885CTSS 3040/4885CTSL 3766/4885
US-20160166526-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT PMP22, GAP43, NGF AKT1 3619/4885CTSS 3040/4885CTSL 3766/4885
US-20030216475-A1 Pharmaceutical composition ARRB1, ADRA1B, ADRB1 AKT1 260/4885CTSS 1619/4885CTSL 3081/4885
US-20120077856-A1 PHARMACEUTICAL PRODUCT ATF1, ATF4, TLR8 AKT1 692/4885CTSS 3714/4885CTSL 1858/4885
US-20150051256-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT PMP22, GAP43, NGF AKT1 3619/4885CTSS 3040/4885CTSL 3766/4885

“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.