SCHEMBL20508397

SCHEMBL20508397

CCS(=O)(=O)Oc1cnc(C(F)(F)F)nc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 2/20 0.33
▸ MMP9 P14780 2/20 0.33
▸ MMP14 P50281 2/20 0.33
▸ MMP7 P09237 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.32
▸ POLB P06746 2/20 0.31
▸ YAP1 P46937 1/20 0.31
▸ TEAD4 Q15561 1/20 0.31
▸ TEAD2 Q15562 1/20 0.31
▸ CA2 P00918 3/20 0.31
▸ CA12 O43570 1/20 0.31
▸ FOS P01100 2/20 0.31
▸ JUN P05412 2/20 0.31
▸ NFKB1 P19838 2/20 0.31
▸ NFKB2 Q00653 2/20 0.31
▸ RELA Q04206 2/20 0.31
▸ CA1 P00915 1/20 0.30
▸ CA9 Q16790 1/20 0.30
▸ ENPP3 O14638 1/20 0.30
▸ ENPP1 P22413 1/20 0.30

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
SCHEMBL2291068 0.79 CA1 (0.35) CA2CA1CA9
SCHEMBL28825630 0.78 MMP2 (0.42) MMP2MMP9MMP14MMP7CA2
SCHEMBL28745298 0.76 ALPI (0.40) MMP2MMP9MMP14MMP7POLB
SCHEMBL22468700 0.73 MMP2 (0.33) MMP2MMP9MMP14MMP7POLB
SCHEMBL28823727 0.71 NFE2L2 (0.44) MMP2MMP9MMP14MMP7YAP1
SCHEMBL3713538 0.71 CHRNB2 (0.39) MMP2MMP9MMP14MMP7YAP1
SCHEMBL28825688 0.71 SLC22A12 (0.36) POLBCA2CA1CA9
SCHEMBL29201426 0.71 MMP2 (0.37) MMP2MMP9MMP14MMP7YAP1
SCHEMBL15453567 0.70 CA2 (0.61) MMP2MMP9MMP14MMP7YAP1
SCHEMBL15453762 0.70 SOD1 (0.39) MMP2MMP9MMP14MMP7CA2

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
EP-3349761-B1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2022-01-26 — — EP disclosed
US-10392379-B2 Hepatitis B core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2019-08-27 — — US disclosed
US-20180273520-A1 HEPATITIS B CORE PROTEIN MODULATORS Assembly Bioscience, Inc. (US) 2018-09-27 — — US 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 (2 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-10392379-B2 Hepatitis B core protein modulators HAVCR2, FABP1, MAVS MMP2 3991/4885MMP9 4608/4885MMP14 4469/4885
US-20180273520-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS MMP2 3991/4885MMP9 4608/4885MMP14 4469/4885

“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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