SCHEMBL8771842

SCHEMBL8771842

CSc1ccc(CO)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
MAP2K2 P36507 1/20 0.33
MAP2K1 Q02750 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
MAOB P27338 1/20 0.33
AOC3 Q16853 1/20 0.33
HTR7 P34969 1/20 0.33
AKR1C3 P42330 3/20 0.32
AKR1C2 P52895 3/20 0.32
PTGER1 P34995 1/20 0.32
NOX1 Q9Y5S8 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL8773287 0.84 CA2 (0.38) MCL1CA2CA4SLC6A2SLC6A4
SCHEMBL13984183 0.82 MCL1 (0.36) MCL1MAP2K2MAP2K1SLC6A2SLC6A4
SCHEMBL8770897 0.81 MCL1 (0.38) MCL1SLC6A4HTR7AKR1C3AKR1C2
SCHEMBL15485740 0.80 HTR7 (0.39) MCL1MAP2K2MAP2K1SLC6A2SLC6A4
SCHEMBL23393787 0.80 SLC6A4 (0.33) MCL1MAP2K2MAP2K1SLC6A2SLC6A4
SCHEMBL96672 0.78 APOBEC3G (0.39) MCL1SLC6A2SLC6A4SLC6A3HTR7
SCHEMBL8773218 0.78 MAPT (0.37) MCL1AKR1C3AKR1C2NOX1HTT
SCHEMBL31739945 0.77 AR (0.36) MCL1HTT
SCHEMBL1993334 0.77 AR (0.36) MCL1HTT
SCHEMBL28277245 0.77 CHRNA7 (0.41) MCL1MAP2K2MAP2K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260001886-A1 ENPP1 INHIBITORS I RE VENTURES I LLC (US) 2026-01-01 US disclosed
US-20250367173-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME LIGACHEM BIOSCIENCES INC (KR) 2025-12-04 US disclosed
WO-2025233863-A1 ENPP1 INHIBITORS RE VENTURES I, LLC (US) 2025-11-13 WO disclosed
CN-119654323-A External nucleotide pyrophosphatase-phosphodiesterase-1 inhibitor and pharmaceutical composition containing the same 瑞嘉化学生物科学股份有限公司 2025-03-18 CN disclosed
WO-2023242631-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME LEGOCHEM BIOSCIENCES, INC. (KR) 2023-12-21 WO disclosed
US-11780849-B2 Imino sulfanone inhibitors of ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2023-10-10 US disclosed
US-11780849-B2 Imino sulfanone inhibitors of ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2023-10-10 US disclosed
EP-4227299-A1 BENZIMIDAZOLONE GLP-1 RECEPTOR AGONIST AND USE THEREOF Hangzhou Zhongmeihuadong Pharmaceutical Co., Ltd. (CN) 2023-08-16 EP disclosed
US-20230002406-A1 IMINO SULFANONE INHIBITORS OF ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2023-01-05 US disclosed
WO-2022078152-A1 BENZIMIDAZOLONE GLP-1 RECEPTOR AGONIST AND USE THEREOF 杭州中美华东制药有限公司 2022-04-21 WO disclosed
WO-2021225969-A1 IMINO SULFANONE INHIBITORS OF ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2021-11-11 WO disclosed
US-20120129875-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-05-24 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 (5 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-20250367173-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME ENPP1, ENPP3, SMPD1 MCL1 3286/4885CA2 2066/4885CA4 3567/4885
US-11780849-B2 Imino sulfanone inhibitors of ENPP1 ENPP1, ENPP3, SMPD1 MCL1 1160/4885CA2 4348/4885CA4 4725/4885
US-20260001886-A1 ENPP1 INHIBITORS I ENPP1, ENPP2, ENPP3 MCL1 826/4885CA2 3450/4885CA4 4667/4885
US-20230002406-A1 IMINO SULFANONE INHIBITORS OF ENPP1 ENPP1, ENPP3, SMPD1 MCL1 1160/4885CA2 4348/4885CA4 4725/4885
US-20120129875-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES NAT1, NQO2, NOX1 MCL1 1271/4885CA2 434/4885CA4 444/4885

“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.