SCHEMBL21623104

SCHEMBL21623104

Nc1ccc(C(=O)Nc2ccc(F)cc2Cl)cc1S(N)(=O)=O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 4/20 0.52
▸ CA1 P00915 7/20 0.51
▸ CA2 P00918 7/20 0.51
▸ PYGL P06737 2/20 0.50
▸ KMT2A Q03164 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ CA9 Q16790 2/20 0.46
▸ ALOX15 P16050 3/20 0.46
▸ HDAC3 O15379 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ NCOR2 Q9Y618 1/20 0.45
▸ CA12 O43570 1/20 0.45

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
SCHEMBL21626410 0.80 MAPT (0.49) HDAC1PYGLKMT2AMAPTALOX15
SCHEMBL21623079 0.80 NPC1 (0.49) HDAC1CA1CA2KMT2AMEN1
SCHEMBL21623373 0.80 CA1 (0.48) HDAC1CA1CA2CA9HDAC3
SCHEMBL21623225 0.78 CA2 (0.57) CA1CA2KMT2AMEN1MAPT
SCHEMBL18147885 0.77 SMN1; SMN2 (0.78) HDAC1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL21623376 0.74 CYP1A2 (0.65) HDAC1CA1CA2MAPTCA9
SCHEMBL28259415 0.74 CA1 (0.58) CA1CA2KMT2AMEN1MAPT
SCHEMBL21623152 0.73 LMNA (0.55) CA1CA2KMT2AMEN1MAPT
SCHEMBL94124 0.73 HDAC1 (0.55) HDAC1PYGLKMT2AMEN1MAPT
SCHEMBL21623183 0.73 KCNQ3 (0.61) CA1CA2

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 10 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
CN-112912368-A Inhibitors of hepatitis B virus 圣拉斐尔医院有限公司 2021-06-04 — — CN disclosed
WO-2020016434-A1 CYCLIC 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
WO-2020016434-A1 CYCLIC 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-3597653-A1 CYCLIC 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
EP-3597653-A1 CYCLIC 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 HDAC1 204/4885CA1 3251/4885CA2 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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