SCHEMBL16161046

SCHEMBL16161046

O=C(F)c1ccc(S(F)(F)(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 3/20 0.41
▸ AKR1C2 P52895 3/20 0.41
▸ PTGS1 P23219 1/20 0.38
▸ PDE2A O00408 3/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.35
▸ CES2 O00748 2/20 0.33
▸ CES1 P23141 2/20 0.33
▸ KDM1A O60341 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ TRPV4 Q9HBA0 1/20 0.32
▸ MGLL Q99685 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ PTGS2 P35354 3/20 0.30

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
SCHEMBL102601 0.81 TSHR (0.47) CES2CES1TP53TSHRCA1
SCHEMBL1194001 0.80 TSHR (0.60) AKR1C3AKR1C2PTGS1CES2CES1
SCHEMBL8737307 0.78 MAPT (0.48) AKR1C3AKR1C2PDE2A
SCHEMBL16110400 0.78 AKR1C3 (0.40) AKR1C3AKR1C2PTGS1PDE2AHDAC6
SCHEMBL3539246 0.78 PARP10 (0.48) AKR1C3AKR1C2PDE2ATSHRCA1
SCHEMBL8045036 0.78 ALDH1A1 (0.43) AKR1C3AKR1C2PTGS1PDE2AHDAC6
SCHEMBL20560502 0.76 AKR1C3 (0.39) AKR1C3AKR1C2PTGS1PDE2AHDAC6
SCHEMBL21585246 0.75 ALDH1A1 (0.61) AKR1C3AKR1C2PTGS1CES2CES1
SCHEMBL1970199 0.74 PDE2A (0.52) AKR1C3AKR1C2PTGS1PDE2AKDM1A
SCHEMBL16110122 0.73 PTPN1 (0.61) AKR1C3AKR1C2HDAC6

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-4303210-A1 METHOD FOR PRODUCING PENTAFLUOROSULFANYL GROUP-CONTAINING ARYL COMPOUND AGC INC. (JP) 2024-01-10 — — EP disclosed
US-20230406820-A1 METHOD FOR PRODUCING PENTAFLUOROSULFANYL GROUP-CONTAINING ARYL COMPOUND AGC Inc. (JP) 2023-12-21 — — US disclosed
CN-116940551-A Method for producing aryl compound containing pentafluorothio group AGC株式会社 2023-10-24 — — CN disclosed
WO-2022186304-A1 METHOD FOR PRODUCING PENTAFLUOROSULFANYL GROUP-CONTAINING ARYL COMPOUND AGC株式会社 2022-09-09 — — WO disclosed
EP-2789603-B1 METHOD FOR PRODUCING PENTAFLUOROSULFANYL BENZOIC ACID UBE INDUSTRIES (JP) 2016-08-10 — — EP disclosed
US-9102608-B2 Method for producing pentafluorosulfanyl benzoic acid UBE INDUSTRIES, LTD. (JP) 2015-08-11 — — US disclosed
US-20140336404-A1 METHOD FOR PRODUCING PENTAFLUOROSULFANYL BENZOIC ACID UBE INDUSTRIES, LTD. (JP) 2014-11-13 — — US disclosed
EP-2789603-A1 METHOD FOR PRODUCING PENTAFLUOROSULFANYL BENZOIC ACID Ube Industries, Ltd. (JP) 2014-10-15 — — EP 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-20230406820-A1 METHOD FOR PRODUCING PENTAFLUOROSULFANYL GROUP-CONTAINING ARYL COMPOUND SF3B5, TST, STS AKR1C3 150/4885AKR1C2 429/4885PTGS1 2816/4885
US-20140336404-A1 METHOD FOR PRODUCING PENTAFLUOROSULFANYL BENZOIC ACID MRPS23, BRI3BP, SUDS3 AKR1C3 765/4885AKR1C2 1376/4885PTGS1 3179/4885

“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.

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