SCHEMBL21809458

SCHEMBL21809458

Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)O)n(CCO[Si](C)(C)C(C)(C)C)c2C)ccc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.38
▸ LMNA P02545 5/20 0.38
▸ GAA P10253 1/20 0.38
▸ ALDH1A1 P00352 5/20 0.37
▸ MAPT P10636 4/20 0.37
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ USP2 O75604 1/20 0.37
▸ SLC10A1 Q14973 5/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CYP1A2 P05177 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 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 0.86 ALDH1A1 (0.35) TSHRLMNAGAAALDH1A1MAPT
SCHEMBL21809932 0.85 TSHR (0.41) TSHRLMNAGAAALDH1A1MAPT
SCHEMBL21809945 0.82 TSHR (0.38) TSHRLMNAGAAALDH1A1MAPT
SCHEMBL21810119 0.81 ALDH1A1 (0.37) TSHRLMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL21810210 0.78 TSHR (0.47) TSHRLMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL21809461 0.77 SLC10A1 (0.42) TSHRLMNAGAAALDH1A1MAPT
SCHEMBL30095133 0.77 SLC10A1 (0.42) TSHRLMNAGAAALDH1A1MAPT
SCHEMBL21810055 0.75 SLC10A1 (0.43) TSHRLMNAGAAALDH1A1MAPT
SCHEMBL30095492 0.75 SLC10A1 (0.43) TSHRLMNAGAAALDH1A1MAPT
SCHEMBL21810207 0.75 SLC10A1 (0.44) TSHRLMNAGAAALDH1A1MAPT

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 12 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
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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