SCHEMBL5358259

SCHEMBL5358259

COC(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1S(C)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.48
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
CA5A P35218 1/20 0.41
KDM4E B2RXH2 4/20 0.40
HSD17B10 Q99714 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SDHB P21912 1/20 0.39
NR1H2 P55055 2/20 0.39
NR1H3 Q13133 2/20 0.39
VCAM1 P19320 1/20 0.38
CA12 O43570 1/20 0.37
CA7 P43166 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK4 Q16654 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CDK1 P06493 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36

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
SCHEMBL29123913 0.88 CFTR (0.61) CFTRCA1CA2CA9CA5A
SCHEMBL5356923 0.84 ALDH1A1 (0.45) KDM4EHSD17B10ALDH1A1HPGDNR1I2
SCHEMBL5359178 0.82 CACNA1B (0.37) KDM4EHSD17B10PDK2PDK4ALDH1A1
SCHEMBL24490708 0.81 CFTR (0.42) CFTRKDM4EHSD17B10SDHBNR1H2
SCHEMBL3133633 0.80 CFTR (0.54) CFTRCA1CA2CA9KDM4E
SCHEMBL5354905 0.78 CFTR (0.51) CFTRCA1CA2CA9KDM4E
SCHEMBL29243240 0.77 CA1 (0.46) CA1CA2CA9CA5AKDM4E
SCHEMBL21032163 0.77 CFTR (0.57) CFTRKDM4EHSD17B10SDHBVCAM1
SCHEMBL22827911 0.75 CFTR (0.64) CFTRCA1CA2CA9CA5A
SCHEMBL22827957 0.75 CFTR (0.60) CFTRCA1CA2CA9CA5A

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
US-7169955-B2 Perfluoroisopropylbenzene derivative NIHON NOHYAKU CO., LTD. (JP) 2007-01-30 US disclosed
US-20050113567-A1 Perfluoroisopropylbenzene derivative NIHON NOHYAKU CO., LTD. (JP) 2005-05-26 US disclosed
US-20030187233-A1 PERFLUOROISOPROPYBENZENE DERIVATIVE NIHON NOHYAKU CO., LTD. (JP) 2003-10-02 US disclosed
EP-1253128-A1 PERFLUOROISOPROPYLBENZENE DERIVATIVES Nihon Nohyaku Co., Ltd. (JP) 2002-10-30 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-20030187233-A1 PERFLUOROISOPROPYBENZENE DERIVATIVE AFF1, CBR1, RER1 CFTR 526/4885CA1 3258/4885CA2 2122/4885
US-20050113567-A1 Perfluoroisopropylbenzene derivative FFAR3, CBR3, HCAR3 CFTR 418/4885CA1 2489/4885CA2 1500/4885

“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.