SCHEMBL19680103

SCHEMBL19680103

N=C(N)Nc1cccc(S(F)(F)(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 4/20 0.49
AKR1C2 P52895 4/20 0.49
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
TAS2R14 Q9NYV8 1/20 0.45
EPHX2 P34913 1/20 0.41
DCUN1D1 Q96GG9 2/20 0.40
KMT2A Q03164 1/20 0.38
KDM1A O60341 1/20 0.38
CYP1A2 P05177 1/20 0.37
DDX3X O00571 1/20 0.35
IDO1 P14902 1/20 0.35
UBE2M P61081 1/20 0.35
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
HTR3A P46098 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL21488823 0.79 AKR1C3 (0.58) AKR1C3AKR1C2PTGS1PTGS2TAS2R14
SCHEMBL19667876 0.79 PRSS1 (0.38) AKR1C3AKR1C2PTGS1KDM1AALDH1A1
SCHEMBL3443268 0.77 IDO1 (0.58) KMT2AIDO1ALDH1A1
SCHEMBL1633802 0.76 ALDH1A1 (0.58) AKR1C3AKR1C2PTGS1PTGS2TAS2R14
SCHEMBL2003357 0.76 KMT2A (0.42) KMT2ACYP1A2DDX3XHTR3EHTR3B
SCHEMBL19680105 0.76 AKR1C3 (0.50) AKR1C3AKR1C2PTGS1PTGS2TAS2R14
SCHEMBL19680104 0.76 AKR1C3 (0.54) AKR1C3AKR1C2PTGS1PTGS2TAS2R14
SCHEMBL17560500 0.75 DDX3X (0.62) PTGS1KMT2ADDX3XALDH1A1
SCHEMBL1593329 0.75 KMT2A (0.66) KMT2ACYP1A2ALDH1A1
SCHEMBL21488709 0.74 AKR1C3 (0.53) AKR1C3AKR1C2PTGS1PTGS2TAS2R14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20170349545-A1 METHOD FOR PRODUCING NITROGEN-CONTAINING PENTAFLUOROSULFANYLBENZENE COMPOUND NPM1, PYM1, FPR2 AKR1C3 1630/4885AKR1C2 2794/4885PTGS1 2916/4885

“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.