SCHEMBL21623537

SCHEMBL21623537

Nc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1S(=O)(=O)N1CCC(O)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.61
▸ CYP2D6 P10635 3/20 0.61
▸ CYP2C9 P11712 3/20 0.61
▸ CYP2C19 P33261 3/20 0.61
▸ KCNH2 Q12809 2/20 0.61
▸ CYP1A2 P05177 2/20 0.58
▸ MAPT P10636 10/20 0.55
▸ TP53 P04637 4/20 0.55
▸ LMNA P02545 6/20 0.53
▸ TSHR P16473 2/20 0.53
▸ HTT P42858 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ POLB P06746 2/20 0.49
▸ RAB9A P51151 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ CNR2 P34972 1/20 0.48

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
SCHEMBL15076712 0.92 MAPT (0.65) CYP3A4CYP2D6CYP2C9CYP2C19KCNH2
SCHEMBL21623546 0.91 MAPT (0.53) CYP3A4CYP2D6CYP2C9CYP2C19KCNH2
SCHEMBL15076470 0.91 MAPT (0.58) CYP3A4CYP2D6CYP2C9CYP2C19KCNH2
SCHEMBL16076730 0.89 CYP3A4 (0.60) CYP3A4CYP2D6CYP2C9CYP2C19KCNH2
SCHEMBL16903012 0.88 MAPT (0.66) CYP3A4CYP2D6CYP2C9CYP2C19KCNH2
SCHEMBL16903013 0.88 MAPT (0.66) CYP3A4CYP2D6CYP2C9CYP2C19KCNH2
SCHEMBL17085001 0.88 CNR2 (0.64) MAPTTP53LMNAHTTSMN1; SMN2
SCHEMBL16903009 0.88 MAPT (0.66) CYP3A4CYP2D6CYP2C9CYP2C19KCNH2
SCHEMBL15076374 0.87 MAPT (0.61) CYP3A4CYP2D6CYP2C9CYP2C19KCNH2
SCHEMBL21623329 0.87 CYP3A4 (0.70) CYP3A4CYP2D6CYP2C9CYP2C19KCNH2

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 9 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
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 CYP3A4 1205/4885CYP2D6 2729/4885CYP2C9 2864/4885

“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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