SCHEMBL21623558

SCHEMBL21623558

Cc1cc(N)c(S(=O)(=O)N[C@H](C)C(F)(F)F)cc1C(=O)Nc1cc(F)c(F)c(F)c1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.69
▸ CYP3A4 P08684 2/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ KCNH2 Q12809 2/20 0.42
▸ FEN1 P39748 9/20 0.41
▸ ENPP2 Q13822 2/20 0.39
▸ ALOX5AP P20292 7/20 0.39
▸ LPAR1 Q92633 1/20 0.37
▸ GPR27 Q9NS67 2/20 0.35
▸ CCR8 P51685 1/20 0.34
▸ LCK P06239 1/20 0.34
▸ KIT P10721 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ P2RX1 P51575 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
SCHEMBL21623566 1.00 CYP1A2 (0.69) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL21623560 1.00 CYP1A2 (0.69) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL21623378 0.85 CYP1A2 (0.48) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL21623238 0.85 CYP1A2 (0.48) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL21623241 0.85 CYP1A2 (0.48) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL21626518 0.83 CYP1A2 (0.69) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL21623334 0.82 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL21623257 0.79 MAPT (0.47) CYP1A2
SCHEMBL21623326 0.79 MAPT (0.47) CYP1A2
SCHEMBL21623254 0.79 MAPT (0.47) CYP1A2

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-20210276967-A1 INHIBITORS OF HEPATITIS B VIRUS OSPEDALE SAN RAFFAELE S.R.L. (IT) 2021-09-09 — — US claimed
US-20210276967-A1 INHIBITORS OF HEPATITIS B VIRUS OSPEDALE SAN RAFFAELE S.R.L. (IT) 2021-09-09 — — US disclosed
US-20210276967-A1 INHIBITORS OF HEPATITIS B VIRUS OSPEDALE SAN RAFFAELE S.R.L. (IT) 2021-09-09 — — US disclosed
EP-3597637-A1 INHIBITORS OF HEPATITIS B VIRUS IRBM S.P.A. (IT) 2020-01-22 — — 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 (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-20210276967-A1 INHIBITORS OF HEPATITIS B VIRUS HAVCR2, SLC10A1, HDGF CYP1A2 1300/4885CYP3A4 1205/4885CYP2D6 2729/4885

“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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