SCHEMBL21062047

SCHEMBL21062047

CCOC(=O)C(F)(F)c1nc(C(=O)Nc2ccc(F)c(C)c2)cs1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ RAF1 P04049 1/20 0.42
▸ BRAF P15056 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ SCN10A Q9Y5Y9 1/20 0.40
▸ EGFR P00533 1/20 0.39
▸ GRM4 Q14833 3/20 0.39
▸ BACE1 P56817 2/20 0.39
▸ MAPT P10636 4/20 0.38
▸ LMNA P02545 2/20 0.38
▸ ANO1 Q5XXA6 1/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ TTK P33981 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ BLM P54132 1/20 0.37

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
SCHEMBL21062044 0.86 RAF1 (0.44) SMN1; SMN2NPC1RAB9AKDM4ERAF1
SCHEMBL21146098 0.80 RAB9A (0.41) SMN1; SMN2NPC1RAB9AKDM4EGRM4
SCHEMBL29391244 0.77 RAF1 (0.44) SMN1; SMN2NPC1RAB9ARAF1BRAF
SCHEMBL21062742 0.77 RAF1 (0.44) SMN1; SMN2NPC1RAB9ARAF1BRAF
SCHEMBL23456581 0.77 NPC1 (0.46) SMN1; SMN2NPC1RAB9AKDM4EL3MBTL1
SCHEMBL21062179 0.75 NPC1 (0.44) SMN1; SMN2NPC1RAB9AKDM4EMAPT
SCHEMBL23456609 0.74 RAB9A (0.41) SMN1; SMN2NPC1RAB9AKDM4EMAPT
SCHEMBL21146675 0.74 KDM4E (0.41) SMN1; SMN2NPC1RAB9AKDM4ERAF1
SCHEMBL21062035 0.73 MAPT (0.51) SMN1; SMN2NPC1RAB9AMAPTLMNA
SCHEMBL21062142 0.73 SMN1; SMN2 (0.42) SMN1; SMN2NPC1RAB9AKDM4EMAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11247965-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2022-02-15 — — US disclosed
US-11247965-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2022-02-15 — — US disclosed
US-20210171439-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS VenatoRx Pharmaceuticals, Inc. (US) 2021-06-10 — — US disclosed
US-20210171439-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS VenatoRx Pharmaceuticals, Inc. (US) 2021-06-10 — — US disclosed
WO-2019118358-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS VenatoRx Pharmaceuticals, Inc. (US) 2019-06-20 — — WO disclosed
WO-2019118358-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS VenatoRx Pharmaceuticals, Inc. (US) 2019-06-20 — — WO 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-20210171439-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS HAVCR2, COPB1, HDLBP SMN1; SMN2 3117/4885NPC1 117/4885RAB9A 1300/4885
US-11247965-B2 Hepatitis B capsid assembly modulators HAVCR2, COPB1, HDLBP SMN1; SMN2 3117/4885NPC1 117/4885RAB9A 1300/4885

“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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