SCHEMBL21623574

SCHEMBL21623574

Nc1ccc(C(=O)Nc2cc(F)c(F)c(F)c2)cc1S(=O)(=O)NC(CO)CO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.45
▸ MAPT P10636 13/20 0.41
▸ TP53 P04637 10/20 0.41
▸ LMNA P02545 8/20 0.41
▸ HTR2B P41595 1/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ MAPK1 P28482 3/20 0.38
▸ HTT P42858 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ RECQL P46063 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ ALOX5AP P20292 1/20 0.37

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
SCHEMBL21623555 0.84 CYP1A2 (0.43) CYP1A2MAPTTP53LMNAMEN1
SCHEMBL21623054 0.83 MAPT (0.47) CYP1A2MAPTTP53LMNAMEN1
SCHEMBL21623238 0.83 CYP1A2 (0.48) CYP1A2MAPTTP53LMNAHTR2B
SCHEMBL21623241 0.83 CYP1A2 (0.48) CYP1A2MAPTTP53LMNAHTR2B
SCHEMBL21623378 0.83 CYP1A2 (0.48) CYP1A2MAPTTP53LMNAHTR2B
SCHEMBL21623120 0.82 CYP1A2 (0.55) CYP1A2MAPTTP53LMNAMEN1
SCHEMBL21623297 0.82 MAPT (0.46) MAPTTP53LMNAHTR2BMEN1
SCHEMBL21623300 0.82 MAPT (0.46) MAPTTP53LMNAHTR2BMEN1
SCHEMBL21623202 0.81 MAPT (0.60) CYP1A2MAPTTP53LMNAMEN1
SCHEMBL21623376 0.81 CYP1A2 (0.65) CYP1A2MAPTTP53LMNARAB9A

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 3 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 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 1300/4885MAPT 3587/4885TP53 979/4885

“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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