SCHEMBL21623542

SCHEMBL21623542

Cc1cc(N)c(S(N)(=O)=O)cc1C(=O)Nc1ccc(F)c(Cl)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.69
▸ FADS1 O60427 1/20 0.58
▸ CA2 P00918 1/20 0.52
▸ KMT2A Q03164 3/20 0.50
▸ IDH1 O75874 2/20 0.48
▸ GPR27 Q9NS67 1/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ HTT P42858 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ TSHR P16473 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ SOS1 Q07889 1/20 0.44

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
SCHEMBL21623572 0.90 CYP1A2 (0.74) CYP1A2FADS1CA2KMT2AGPR27
SCHEMBL21623539 0.86 CYP1A2 (0.84) CYP1A2FADS1CA2GPR27CYP3A4
SCHEMBL21623573 0.85 CYP1A2 (0.68) CYP1A2FADS1CA2KMT2AGPR27
SCHEMBL21623564 0.84 CYP1A2 (0.67) CYP1A2CA2KMT2ASMN1; SMN2NPC1
SCHEMBL21623540 0.84 CYP1A2 (0.65) CYP1A2FADS1CA2GPR27CYP3A4
SCHEMBL21623225 0.82 CA2 (0.57) FADS1CA2KMT2ANPC1RAB9A
SCHEMBL21623334 0.82 CYP1A2 (1.00) CYP1A2CA2GPR27CYP3A4CYP2D6
SCHEMBL21623567 0.80 CYP1A2 (0.60) CYP1A2SMN1; SMN2RAB9A
SCHEMBL21623325 0.78 CA2 (0.61) FADS1CA2KMT2ANPC1RAB9A
SCHEMBL17668344 0.78 FADS1 (0.62) FADS1CA2KMT2ASMN1; SMN2NPC1

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 1300/4885FADS1 3237/4885CA2 3007/4885

“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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