SCHEMBL2903593

SCHEMBL2903593

O=S(=O)(O)Cc1c(F)cccc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.45
STIM1 Q13586 1/20 0.41
ORAI1 Q96D31 1/20 0.41
P2RX7 Q99572 1/20 0.41
SLC22A12 Q96S37 3/20 0.41
KAT6A Q92794 1/20 0.38
FABP4 P15090 1/20 0.38
PTGS2 P35354 1/20 0.38
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
CD38 P28907 2/20 0.37
CYP3A4 P08684 1/20 0.37
KCNH2 Q12809 1/20 0.37
AKR1B1 P15121 1/20 0.36
NFE2L2 Q16236 2/20 0.35
RORC P51449 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35

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
SCHEMBL4004824 0.98 HSD11B1 (0.44) HSD11B1STIM1ORAI1P2RX7SLC22A12
SCHEMBL2910530 0.89 TAAR1 (0.39) HSD11B1SLC22A12KAT6AAKR1B1MEN1
SCHEMBL4002424 0.87 TAAR1 (0.38) HSD11B1SLC22A12KAT6AAKR1B1MEN1
SCHEMBL2376126 0.84 HSD11B1 (0.44) HSD11B1STIM1ORAI1P2RX7SLC22A12
SCHEMBL27688701 0.84 HSD11B1 (0.44) HSD11B1STIM1ORAI1P2RX7SLC22A12
SCHEMBL272465 0.84 HSD11B1 (0.44) HSD11B1STIM1ORAI1P2RX7SLC22A12
SCHEMBL2376127 0.84 HSD11B1 (0.44) HSD11B1STIM1ORAI1P2RX7SLC22A12
SCHEMBL14378239 0.83 HSD11B1 (0.43) HSD11B1STIM1ORAI1P2RX7SLC22A12
SCHEMBL272000 0.83 HSD11B1 (0.43) HSD11B1STIM1ORAI1P2RX7SLC22A12
SCHEMBL4007057 0.82 MEN1 (0.42) HSD11B1AKR1B1MEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111909040-A Preparation method of Elagolix intermediate 2-fluoro-6-trifluoromethylbenzylamine 南京莱克施德药业有限公司 2020-11-10 CN disclosed
EP-2220056-B1 HERBICIDAL COMPOUNDS SYNGENTA LTD (GB) 2015-09-30 EP disclosed
US-20100323889-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-12-23 US disclosed
EP-2220056-A1 HERBICIDAL COMPOUNDS Syngenta Limited (GB) 2010-08-25 EP disclosed
EP-1718605-B1 PROCESSES FOR THE PREPARATION OF ARYL-AND HETEROARYL-ALKYLSULFONYL HALIDES WYETH CORP (US) 2009-06-17 EP disclosed
WO-2009063180-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2009-05-22 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-20100323889-A1 HERBICIDAL COMPOUNDS CBR3, DDT, CBR1 HSD11B1 243/4885STIM1 3584/4885ORAI1 2196/4885

“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.