SCHEMBL21809945

SCHEMBL21809945

CCOC(=O)C(F)(F)c1c(C)c(C(=O)Nc2ccc(F)c(C)c2)c(C)n1CCO[Si](C)(C)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.38
▸ LMNA P02545 4/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 6/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ USP2 O75604 1/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ TTK P33981 1/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ TRPV4 Q9HBA0 1/20 0.33

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
SCHEMBL25091655 0.91 ALDH1A1 (0.35) TSHRLMNAGAAMAPTSMN1; SMN2
SCHEMBL21809668 0.86 TSHR (0.41) TSHRLMNAGAAMAPTSMN1; SMN2
SCHEMBL21809458 0.82 TSHR (0.38) TSHRLMNAGAAMAPTSMN1; SMN2
SCHEMBL21810119 0.77 ALDH1A1 (0.37) TSHRLMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL23456609 0.72 RAB9A (0.41) TSHRLMNAGAAMAPTSMN1; SMN2
SCHEMBL21062142 0.71 SMN1; SMN2 (0.42) TSHRLMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL21062179 0.69 NPC1 (0.44) TSHRLMNAMAPTSMN1; SMN2NPC1
SCHEMBL21146204 0.68 ALDH1A1 (0.39) TSHRLMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL21146675 0.68 KDM4E (0.41) TSHRLMNAMAPTSMN1; SMN2NPC1
SCHEMBL21062047 0.68 SMN1; SMN2 (0.45) LMNAMAPTSMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230062975-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS SPRING MILL PHARMA, INC. 2023-03-02 — — US disclosed
US-20230062975-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS SPRING MILL PHARMA, INC. 2023-03-02 — — US disclosed
US-11566001-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2023-01-31 — — US disclosed
US-11566001-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2023-01-31 — — US disclosed
US-20220298110-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS SPRING MILL PHARMA, INC. 2022-09-22 — — US disclosed
US-11014881-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2021-05-25 — — US disclosed
US-11014881-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2021-05-25 — — US disclosed
EP-3807246-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS Venatorx Pharmaceuticals, Inc. (US) 2021-04-21 — — EP disclosed
CN-112585118-A Hepatitis b capsid assembly modulators 维纳拓尔斯制药公司 2021-03-30 — — CN disclosed
US-20200123105-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS SPRING MILL PHARMA, INC. 2020-04-23 — — US disclosed
US-20200123105-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS SPRING MILL PHARMA, INC. 2020-04-23 — — US disclosed
US-10590076-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2020-03-17 — — US disclosed
US-10590076-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2020-03-17 — — 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 (6 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-20200123105-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS HAVCR2, COPB1, HDLBP TSHR 4281/4885LMNA 2483/4885GAA 1088/4885
US-20230062975-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS HAVCR2, COPB1, HDLBP TSHR 4281/4885LMNA 2483/4885GAA 1088/4885
US-10590076-B2 Hepatitis B capsid assembly modulators HAVCR2, COPB1, HDLBP TSHR 4281/4885LMNA 2483/4885GAA 1088/4885
US-11566001-B2 Hepatitis B capsid assembly modulators HAVCR2, COPB1, HDLBP TSHR 4281/4885LMNA 2483/4885GAA 1088/4885
US-20220298110-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS HAVCR2, COPB1, HDLBP TSHR 4281/4885LMNA 2483/4885GAA 1088/4885
US-11014881-B2 Hepatitis B capsid assembly modulators HAVCR2, COPB1, HDLBP TSHR 4281/4885LMNA 2483/4885GAA 1088/4885

“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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