SCHEMBL21612136

SCHEMBL21612136

CC(C)[C@H](NC(=O)c1cc(Cl)c(Cl)s1)C(=O)OCC(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.41
GSK3B P49841 1/20 0.38
DAO P14920 1/20 0.37
CNR2 P34972 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
TRPA1 O75762 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL21612135 1.00 MCL1 (0.41) MCL1GSK3BDAOCNR2L3MBTL1
SCHEMBL28549687 0.90 NOS3 (0.38) MCL1GSK3BDAOCNR2L3MBTL1
SCHEMBL21612143 0.84 TAS1R3 (0.47) GSK3BCNR2ALDH1A1TAS1R3TAS1R1
SCHEMBL21612144 0.84 TAS1R3 (0.47) GSK3BCNR2ALDH1A1TAS1R3TAS1R1
SCHEMBL28565290 0.74 NOS3 (0.49) GSK3BDAOKDM4EALDH1A1TAS1R3
SCHEMBL21612140 0.74 NOS3 (0.49) GSK3BDAOKDM4EALDH1A1TAS1R3
SCHEMBL21612142 0.71 CA2 (0.54) GSK3BDAOL3MBTL1KDM4EALDH1A1
SCHEMBL21612141 0.71 CA2 (0.54) GSK3BDAOL3MBTL1KDM4EALDH1A1
SCHEMBL21612133 0.70 TAS1R3 (0.61) TAS1R3TAS1R1
SCHEMBL21612134 0.70 TAS1R3 (0.61) TAS1R3TAS1R1

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
US-20230159486-A1 SUBSTITUTED THIOPHENECARBOXAMIDES AND ANALOGUES AS ANTIBACTERIALS AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2023-05-25 US claimed
EP-3818051-B1 SUBSTITUTED THIOPHENECARBOXAMIDES AND ANALOGUES AS ANTIBACTERIALS AGENTS BAYER AG (DE) 2022-08-03 EP claimed
EP-3818051-A1 SUBSTITUTED THIOPHENECARBOXAMIDES AND ANALOGUES AS ANTIBACTERIALS AGENTS Bayer Aktiengesellschaft (DE) 2021-05-12 EP claimed
CN-112638894-A Substituted thiophenecarboxamides and analogs as antibacterial agents 拜耳公司 2021-04-09 CN claimed
WO-2020007904-A1 SUBSTITUTED THIOPHENECARBOXAMIDES AND ANALOGUES AS ANTIBACTERIALS AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2020-01-09 WO claimed
US-20230159486-A1 SUBSTITUTED THIOPHENECARBOXAMIDES AND ANALOGUES AS ANTIBACTERIALS AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2023-05-25 US disclosed
EP-3818051-B1 SUBSTITUTED THIOPHENECARBOXAMIDES AND ANALOGUES AS ANTIBACTERIALS AGENTS BAYER AG (DE) 2022-08-03 EP disclosed
EP-3818051-A1 SUBSTITUTED THIOPHENECARBOXAMIDES AND ANALOGUES AS ANTIBACTERIALS AGENTS Bayer Aktiengesellschaft (DE) 2021-05-12 EP disclosed
WO-2020007904-A1 SUBSTITUTED THIOPHENECARBOXAMIDES AND ANALOGUES AS ANTIBACTERIALS AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2020-01-09 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-20230159486-A1 SUBSTITUTED THIOPHENECARBOXAMIDES AND ANALOGUES AS ANTIBACTERIALS AGENTS TST, XDH, PGLS MCL1 3939/4885GSK3B 4180/4885DAO 625/4885

“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.