SCHEMBL2170077

SCHEMBL2170077

COc1c(F)c(F)cc(C(=O)O)c1F.CS(=O)(=O)O.OCC#CCO

nearest known ligand 0.38

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 12/20 0.38
FABP5 Q01469 11/20 0.38
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ACLY P53396 2/20 0.34
HSD17B10 Q99714 1/20 0.33
CTSV O60911 1/20 0.33
CTSL P07711 1/20 0.33
KDM4E B2RXH2 1/20 0.33
FABP3 P05413 1/20 0.33

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
SCHEMBL2838557 0.93 HSD17B10 (0.37) FABP4FABP5MEN1KMT2AHSD17B10
Ethylene Glycol SCHEMBL2166684 0.91 FABP4 (0.38) FABP4FABP5MEN1KMT2AACLY
SCHEMBL2168120 0.90 FABP4 (0.34) FABP4FABP5MEN1KMT2AACLY
1,4-Butanediol SCHEMBL2166784 0.88 FABP4 (0.36) FABP4FABP5MEN1KMT2AACLY
SCHEMBL2165985 0.88 FABP4 (0.36) FABP4FABP5MEN1KMT2AACLY
SCHEMBL2167048 0.87 WDR5 (0.38) FABP4MEN1KMT2AACLYHSD17B10
SCHEMBL2170072 0.85 GAA (0.33) FABP4FABP5ACLY
Ethylene Glycol SCHEMBL2829965 0.83 HSD17B10 (0.40) MEN1KMT2AHSD17B10
SCHEMBL607945 0.83 HSD17B10 (0.44) MEN1KMT2AHSD17B10KDM4E
SCHEMBL27927680 0.81 HSD17B10 (0.43) MEN1KMT2AHSD17B10KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383274-B2 Nonaqueous electrolyte solution for lithium battery, lithium battery using same, and formyloxy group-containing compound used therein UBE INDUSTRIES, LTD. (JP) 2013-02-26 US claimed
US-8383274-B2 Nonaqueous electrolyte solution for lithium battery, lithium battery using same, and formyloxy group-containing compound used therein UBE INDUSTRIES, LTD. (JP) 2013-02-26 US disclosed
US-20110183199-A1 NONAQUEOUS ELECTROLYTE SOLUTION FOR LITHIUM BATTERY, LITHIUM BATTERY USING SAME, AND FORMYLOXY GROUP-CONTAINING COMPOUND USED THEREIN UBE INDUSTRIES, LTD. (JP) 2011-07-28 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 (1 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-20110183199-A1 NONAQUEOUS ELECTROLYTE SOLUTION FOR LITHIUM BATTERY, LITHIUM BATTERY USING SAME, AND FORMYLOXY GROUP-CONTAINING COMPOUND USED THEREIN HCN2, KCNN2, KCNB1 FABP4 3859/4885FABP5 2585/4885MEN1 2002/4885

“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.