SCHEMBL21809668

SCHEMBL21809668

CCOC(=O)C(F)(F)c1c(C)c(C(=O)Nc2ccc(F)c(C)c2)c(C)n1CCF

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 6/20 0.41
▸ LMNA P02545 4/20 0.41
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 8/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ USP2 O75604 2/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CYP1A2 P05177 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ TRPV4 Q9HBA0 1/20 0.34

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
SCHEMBL21809945 0.86 TSHR (0.38) TSHRLMNAGAAMAPTALDH1A1
SCHEMBL23456609 0.77 RAB9A (0.41) TSHRLMNAGAAMAPTALDH1A1
SCHEMBL21809932 0.77 TSHR (0.41) TSHRLMNAGAAMAPTALDH1A1
SCHEMBL21062142 0.76 SMN1; SMN2 (0.42) TSHRLMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL25091655 0.76 ALDH1A1 (0.35) TSHRLMNAGAAMAPTALDH1A1
SCHEMBL30095133 0.75 SLC10A1 (0.42) TSHRLMNAGAAMAPTALDH1A1
SCHEMBL21809461 0.75 SLC10A1 (0.42) TSHRLMNAGAAMAPTALDH1A1
SCHEMBL30095145 0.75 SLC10A1 (0.46) TSHRLMNAGAAALDH1A1CYP1A2
SCHEMBL21809659 0.75 SLC10A1 (0.46) TSHRLMNAGAAALDH1A1CYP1A2
SCHEMBL21062179 0.74 NPC1 (0.44) TSHRLMNAMAPTMAPK1NPSR1

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 11 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-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

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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