SCHEMBL21623555

SCHEMBL21623555

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.43
▸ ALOX5AP P20292 2/20 0.42
▸ FEN1 P39748 2/20 0.42
▸ MAPT P10636 14/20 0.42
▸ TP53 P04637 12/20 0.42
▸ LMNA P02545 9/20 0.42
▸ GBA1 P04062 1/20 0.40
▸ MEN1 O00255 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ RECQL P46063 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ KCNH2 Q12809 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
SCHEMBL21623054 0.85 MAPT (0.47) CYP1A2ALOX5APFEN1MAPTTP53
SCHEMBL21623574 0.84 CYP1A2 (0.45) CYP1A2ALOX5APFEN1MAPTTP53
SCHEMBL21626433 0.82 CYP1A2 (0.45) CYP1A2MAPTTP53LMNAMEN1
SCHEMBL21623120 0.80 CYP1A2 (0.55) CYP1A2MAPTTP53LMNAMEN1
SCHEMBL21623376 0.78 CYP1A2 (0.65) CYP1A2MAPTTP53LMNARAB9A
SCHEMBL21623241 0.78 CYP1A2 (0.48) CYP1A2ALOX5APFEN1MAPTTP53
SCHEMBL21623378 0.78 CYP1A2 (0.48) CYP1A2ALOX5APFEN1MAPTTP53
SCHEMBL21623238 0.78 CYP1A2 (0.48) CYP1A2ALOX5APFEN1MAPTTP53
SCHEMBL21623291 0.78 LMNA (0.50) CYP1A2MAPTLMNAMEN1MAPK1
SCHEMBL21623202 0.76 MAPT (0.60) CYP1A2MAPTTP53LMNAMEN1

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 11 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
EP-3823957-A1 INHIBITORS OF HEPATITIS B VIRUS Ospedale San Raffaele S.r.l. (IT) 2021-05-26 — — EP claimed
WO-2020016427-A1 INHIBITORS OF HEPATITIS B VIRUS OSPEDALE SAN RAFFAELE S.R.L. (IT) 2020-01-23 — — WO claimed
EP-3597637-A1 INHIBITORS OF HEPATITIS B VIRUS IRBM S.P.A. (IT) 2020-01-22 — — EP 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-3823957-A1 INHIBITORS OF HEPATITIS B VIRUS Ospedale San Raffaele S.r.l. (IT) 2021-05-26 — — EP disclosed
WO-2020016427-A1 INHIBITORS OF HEPATITIS B VIRUS OSPEDALE SAN RAFFAELE S.R.L. (IT) 2020-01-23 — — WO disclosed
WO-2020016427-A1 INHIBITORS OF HEPATITIS B VIRUS OSPEDALE SAN RAFFAELE S.R.L. (IT) 2020-01-23 — — WO disclosed
EP-3597637-A1 INHIBITORS OF HEPATITIS B VIRUS IRBM S.P.A. (IT) 2020-01-22 — — EP 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 1300/4885ALOX5AP 1932/4885FEN1 2674/4885

“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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