SCHEMBL25068948

SCHEMBL25068948

CCn1ccc2c(OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cccc21

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 4/20 0.40
▸ BCL2 P10415 1/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ MRGPRX4 Q96LA9 1/20 0.38
▸ IDO1 P14902 2/20 0.38
▸ TACR1 P25103 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ PPARG P37231 4/20 0.37
▸ PPARD Q03181 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ ROCK1 Q13464 1/20 0.36
▸ PTPN1 P18031 2/20 0.36
▸ PTPRC P08575 1/20 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
SCHEMBL23408944 0.86 RHEB (0.47) HTR6MRGPRX4IDO1TACR1ROCK1
SCHEMBL25068973 0.83 TACR1 (0.39) HTR6MRGPRX4IDO1TACR1HTR2C
SCHEMBL4323501 0.81 HTR6 (0.52) HTR6BCL2MCL1HTR2CMAPT
SCHEMBL20905144 0.76 TEAD1 (0.39) HTR6MRGPRX4TACR1PTPN1PTPRC
SCHEMBL23388229 0.75 HTR6 (0.52) HTR6
SCHEMBL23408961 0.73 PTPN1 (0.39) MRGPRX4IDO1TACR1PTPN1PTPRC
SCHEMBL18362160 0.73 HTR6 (0.48) HTR6MCL1HTR2CPPARGPPARD
SCHEMBL4395116 0.72 HTR2C (0.49) HTR6MCL1HTR2CPPARGPPARD
SCHEMBL13228252 0.72 HTR2C (0.65) HTR6HTR2CMAPT
SCHEMBL25068961 0.72 TACR1 (0.40) MRGPRX4IDO1TACR1HTR2CPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230055961-A1 PENTAFLUOROBENZENESULFONAMIDE DERIVATIVES AND USES THEREOF DUNAD THERAPEUTICS LTD. (GB) 2023-02-23 — — 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-20230055961-A1 PENTAFLUOROBENZENESULFONAMIDE DERIVATIVES AND USES THEREOF FURIN, PFAS, CFTR HTR6 780/4885BCL2 1419/4885MCL1 861/4885

“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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