SCHEMBL21062044

SCHEMBL21062044

Cc1cc(NC(=O)c2csc(C(F)(F)C(=O)O)n2)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 1/20 0.44
▸ BRAF P15056 1/20 0.44
▸ GRM4 Q14833 2/20 0.42
▸ BACE1 P56817 2/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MAPT P10636 5/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ MAPK1 P28482 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ ATM Q13315 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SCN10A Q9Y5Y9 1/20 0.41

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
SCHEMBL21062047 0.86 SMN1; SMN2 (0.45) RAF1BRAFGRM4BACE1NPC1
SCHEMBL21062742 0.81 RAF1 (0.44) RAF1BRAFBACE1NPC1RAB9A
SCHEMBL29391244 0.81 RAF1 (0.44) RAF1BRAFBACE1NPC1RAB9A
SCHEMBL23456581 0.81 NPC1 (0.46) GRM4BACE1NPC1RAB9ASMN1; SMN2
SCHEMBL21146099 0.78 PTPN11 (0.42) GRM4BACE1NPC1RAB9ASMN1; SMN2
SCHEMBL15886252 0.72 NPC1 (0.50) GRM4BACE1NPC1RAB9ASMN1; SMN2
SCHEMBL21146679 0.71 MAOB (0.40) NPC1RAB9ALMNAMEN1ALDH1A1
SCHEMBL21062141 0.71 NPC1 (0.42) NPC1RAB9AMAPTLMNAALDH1A1
SCHEMBL15443998 0.70 BACE1 (0.58) BACE1NPC1RAB9ASMN1; SMN2
SCHEMBL15886231 0.69 RAB9A (0.59) BACE1NPC1RAB9ASMN1; SMN2MAPT

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 RAF1 3407/4885BRAF 4476/4885GRM4 2739/4885
US-11247965-B2 Hepatitis B capsid assembly modulators HAVCR2, COPB1, HDLBP RAF1 3407/4885BRAF 4476/4885GRM4 2739/4885

“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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