SCHEMBL22982111

SCHEMBL22982111

COC(=O)C(=[N+]=[N-])c1ccccc1OC(F)F

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
SMN1; SMN2 Q16637 5/20 0.43
ALDH1A1 P00352 6/20 0.43
HTT P42858 6/20 0.43
LMNA P02545 5/20 0.43
ALPL P05186 1/20 0.43
MAPT P10636 3/20 0.42
HPGD P15428 2/20 0.42
CYP11B1 P15538 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
NR1I2 O75469 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 1/20 0.40
CASP1 P29466 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39

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
SCHEMBL27981110 0.83 CTSD (0.51) GAASMN1; SMN2LMNAMAPTHPGD
SCHEMBL30104115 0.78 HCRTR1 (0.54) GAAALDH1A1HTTLMNAMAPT
SCHEMBL22994535 0.78 GAA (0.46) GAASMN1; SMN2ALDH1A1HTTLMNA
SCHEMBL27152360 0.77 PKM (0.48) GAASMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL1856862 0.77 SLC6A3 (0.56) GAASMN1; SMN2ALDH1A1HTTLMNA
SCHEMBL28319862 0.77 NPC1 (0.44) SMN1; SMN2ALDH1A1LMNAMAPTHPGD
SCHEMBL14639033 0.75 LMNA (0.50) ALDH1A1LMNAMAPTKDM4EKMT2A
SCHEMBL316291 0.75 SGMS2 (0.53) GAAALDH1A1HTTLMNAMAPT
SCHEMBL13734754 0.74 POLB (0.46) GAASMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL29487353 0.74 POLB (0.46) GAASMN1; SMN2ALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4545535-A1 THIENOPYRIMIDINE DERIVATIVES AS ACC INHIBITORS AND USES THEREOF Gilead Sciences, Inc. (US) 2025-04-30 EP disclosed
EP-4010344-B1 THIENOPYRIMIDINE DERIVATIVES AS ACC INHIBITORS AND USES THEREOF GILEAD SCIENCES INC (US) 2024-10-02 EP disclosed
CN-114206884-B Thienopyrimidine derivatives as ACC inhibitors and use thereof 吉利德科学公司 2024-07-12 CN disclosed
EP-4010344-A1 THIENOPYRIMIDINE DERIVATIVES AS ACC INHIBITORS AND USES THEREOF GILEAD SCIENCES, INC. (US) 2022-06-15 EP disclosed
US-11352371-B2 Thienopyrimidine derivatives as ACC inhibitors and uses thereof GILEAD SCIENCES, INC. (US) 2022-06-07 US disclosed
CN-114206884-A Thienopyrimidine derivatives as ACC inhibitors and uses thereof 吉利德科学公司 2022-03-18 CN disclosed
US-20210053990-A1 THIENOPYRIMIDINE DERIVATIVES AS ACC INHIBITORS AND USES THEREOF GILEAD SCIENCES, INC. 2021-02-25 US disclosed
WO-2021030142-A1 THIENOPYRIMIDINE DERIVATIVES AS ACC INHIBITORS AND USES THEREOF GILEAD SCIENCES, INC. (US) 2021-02-18 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 (2 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-11352371-B2 Thienopyrimidine derivatives as ACC inhibitors and uses thereof ACACB, ACACA, ACAT2 GAA 320/4885SMN1; SMN2 4605/4885ALDH1A1 103/4885
US-20210053990-A1 THIENOPYRIMIDINE DERIVATIVES AS ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 GAA 244/4885SMN1; SMN2 4656/4885ALDH1A1 121/4885

“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.