SCHEMBL19680105

SCHEMBL19680105

NNc1cccc(S(F)(F)(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 4/20 0.50
AKR1C2 P52895 4/20 0.50
PTGS2 P35354 2/20 0.46
PTGS1 P23219 1/20 0.46
TAS2R14 Q9NYV8 1/20 0.46
LMNA P02545 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
IDO1 P14902 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM1A O60341 1/20 0.42
NOS1 P29475 1/20 0.40
EPHX2 P34913 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.35
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 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
SCHEMBL19680104 0.78 AKR1C3 (0.54) AKR1C3AKR1C2PTGS2PTGS1TAS2R14
SCHEMBL19779319 0.78 AKR1C3 (0.50) AKR1C3AKR1C2PTGS2PTGS1TAS2R14
SCHEMBL17517023 0.77 AKR1C3 (0.67) AKR1C3AKR1C2PTGS2PTGS1TAS2R14
SCHEMBL19680103 0.76 AKR1C3 (0.49) AKR1C3AKR1C2PTGS2PTGS1TAS2R14
SCHEMBL219895 0.75 TDP1 (0.61) PTGS2LMNATDP1IDO1CYP1A2
SCHEMBL1966415 0.75 KDM1A (0.48) AKR1C3AKR1C2PTGS2PTGS1TAS2R14
SCHEMBL29643291 0.75 CYP3A4 (0.52) AKR1C3AKR1C2LMNATDP1CYP3A4
SCHEMBL1633970 0.75 CYP3A4 (0.52) AKR1C3AKR1C2LMNATDP1CYP3A4
SCHEMBL21488823 0.74 AKR1C3 (0.58) AKR1C3AKR1C2PTGS2PTGS1TAS2R14
SCHEMBL18129235 0.72 LMNA (0.43) AKR1C3AKR1C2PTGS2PTGS1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159544-A1 AZEPINO-INDOLES FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS TERRAN BIOSCIENCES INC (US) 2023-05-25 US disclosed
WO-2023077125-A2 AZEPINO-INDOLES FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS TERRAN BIOSCIENCES, INC. (US) 2023-05-04 WO disclosed
CN-107108490-B Method for producing nitrogen-containing pentafluorosulfanylbenzene compound 宇部兴产株式会社 2019-12-31 CN disclosed
US-9868701-B2 Method for producing nitrogen-containing pentafluorosulfanylbenzene compound UBE INDUSTRIES, LTD. (JP) 2018-01-16 US disclosed
US-9868701-B2 Method for producing nitrogen-containing pentafluorosulfanylbenzene compound UBE INDUSTRIES, LTD. (JP) 2018-01-16 US disclosed
US-20170349545-A1 METHOD FOR PRODUCING NITROGEN-CONTAINING PENTAFLUOROSULFANYLBENZENE COMPOUND UBE CORPORATION (JP) 2017-12-07 US disclosed
US-20170349545-A1 METHOD FOR PRODUCING NITROGEN-CONTAINING PENTAFLUOROSULFANYLBENZENE COMPOUND UBE CORPORATION (JP) 2017-12-07 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 (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-20170349545-A1 METHOD FOR PRODUCING NITROGEN-CONTAINING PENTAFLUOROSULFANYLBENZENE COMPOUND NPM1, PYM1, FPR2 AKR1C3 1630/4885AKR1C2 2794/4885PTGS2 1608/4885
US-20230159544-A1 AZEPINO-INDOLES FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS TPH2, TPH1, SLC18A2 AKR1C3 3177/4885AKR1C2 2110/4885PTGS2 3565/4885

“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.