SCHEMBL6561685

SCHEMBL6561685

CC(=O)c1cc(F)c(C(C)=O)cc1F

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 2/20 0.43
CES2 O00748 3/20 0.42
CES1 P23141 3/20 0.42
MAOB P27338 3/20 0.42
MAOA P21397 1/20 0.40
HTT P42858 2/20 0.38
KMT2A Q03164 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
DGAT1 O75907 1/20 0.37
CYP3A4 P08684 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL13390 0.95 TSHR (0.43) TSHRSMN1; SMN2ALDH1A1CES2CES1
SCHEMBL30753199 0.95 TSHR (0.43) TSHRSMN1; SMN2ALDH1A1CES2CES1
SCHEMBL8257796 0.88 TSHR (0.47) TSHRSMN1; SMN2ALDH1A1CES2CES1
SCHEMBL5461436 0.88 HTT (0.41) TSHRSMN1; SMN2ALDH1A1CES2CES1
SCHEMBL690412 0.86 POLB (0.46) TSHRSMN1; SMN2ALDH1A1MAOBMAOA
SCHEMBL30204393 0.86 GPR27 (0.41) TSHRSMN1; SMN2ALDH1A1CES2CES1
SCHEMBL29997409 0.86 POLB (0.46) TSHRSMN1; SMN2ALDH1A1MAOBMAOA
SCHEMBL4949499 0.86 GPR27 (0.41) TSHRSMN1; SMN2ALDH1A1CES2CES1
SCHEMBL8282300 0.86 TSHR (0.39) TSHRSMN1; SMN2ALDH1A1CES2CES1
SCHEMBL15495179 0.85 ALOX15 (0.47) TSHRSMN1; SMN2ALDH1A1CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119812479-A Electrolyte matched with high-voltage lithium metal battery and preparation method thereof 新乡华锐锂电新能源股份有限公司 2025-04-11 CN claimed
CN-119812479-B Electrolyte matched with high-voltage lithium metal battery and preparation method thereof 新乡华锐锂电新能源股份有限公司 2025-06-06 CN disclosed
CN-119812479-A Electrolyte matched with high-voltage lithium metal battery and preparation method thereof 新乡华锐锂电新能源股份有限公司 2025-04-11 CN disclosed
CN-119812479-A Electrolyte matched with high-voltage lithium metal battery and preparation method thereof 新乡华锐锂电新能源股份有限公司 2025-04-11 CN disclosed
EP-1296945-B1 SULFONAMIDE DERIVATIVES LILLY CO ELI (US) 2004-08-04 EP disclosed
US-6703425-B2 ADMINISTERING GLUTAMATE RECEPTOR POTENTIATOR TO TREAT PSYCHOLOGICAL AND NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY 2004-03-09 US disclosed
US-20030229102-A1 Sulfonamide derivatives ELI LILLY AND COMPANY 2003-12-11 US disclosed
EP-1296945-A1 SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2003-04-02 EP disclosed
WO-2001096289-A1 SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2001-12-20 WO 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-20030229102-A1 Sulfonamide derivatives GRIN1, GRIN2A, SLC1A2 TSHR 2281/4885SMN1; SMN2 208/4885ALDH1A1 270/4885

“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.