SCHEMBL18129235

SCHEMBL18129235

NNc1ccc(S(F)(F)(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
IDO1 P14902 1/20 0.43
CYP2C19 P33261 1/20 0.43
PTGS2 P35354 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PDE2A O00408 3/20 0.43
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39

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
SCHEMBL1970199 0.76 PDE2A (0.52) PDE2AAKR1C3AKR1C2PTGS1KDM1A
SCHEMBL218054 0.76 TDP1 (0.67) LMNACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL18542736 0.74 TSHR (0.43) CYP3A4PDE2ACA12CA1CA2
SCHEMBL19667860 0.74 IDO1 (0.43) IDO1PDE2AAKR1C3AKR1C2PTGS1
SCHEMBL19680105 0.72 AKR1C3 (0.50) LMNACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL19667876 0.70 PRSS1 (0.38) PDE2AAKR1C3AKR1C2PTGS1KDM1A
SCHEMBL17517024 0.70 ALDH1A1 (0.62) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL8250 0.69
SCHEMBL240645 0.69 MEN1 (0.50) CYP3A4TDP1PDE2ACA6CA14
SCHEMBL18856615 0.69 AKR1C3 (0.36) PDE2AAKR1C3AKR1C2PTGS1KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20170349545-A1 METHOD FOR PRODUCING NITROGEN-CONTAINING PENTAFLUOROSULFANYLBENZENE COMPOUND UBE CORPORATION (JP) 2017-12-07 US disclosed
US-20160296499-A1 Spiroindoline Antiparasitic Derivatives ZOETIS SERVICES LLC 2016-10-13 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 LMNA 3309/4885CYP1A2 180/4885CYP3A4 253/4885
US-20160296499-A1 Spiroindoline Antiparasitic Derivatives PKD2, PKD1, AVPR2 LMNA 2530/4885CYP1A2 121/4885CYP3A4 141/4885

“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.