SCHEMBL21810210

SCHEMBL21810210

Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)O)n(C)c2C)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.47
▸ ALDH1A1 P00352 4/20 0.45
▸ MAPT P10636 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ USP2 O75604 1/20 0.45
▸ POLB P06746 3/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ MAPK1 P28482 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
SCHEMBL23515406 0.92 POLB (0.47) TSHRALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL21810341 0.91 TSHR (0.47) TSHRALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL30095121 0.91 TSHR (0.47) TSHRALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL21809878 0.88 ALDH1A1 (0.43) TSHRALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL30095011 0.88 TSHR (0.46) TSHRALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL21809777 0.88 TSHR (0.46) TSHRALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL21809450 0.88 ALDH1A1 (0.41) TSHRALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL30094814 0.87 MAPT (0.47) TSHRALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL21809591 0.87 MAPT (0.47) TSHRALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL23498847 0.86 TSHR (0.38) TSHRALDH1A1MAPTLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230107941-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS VenatoRx Pharmaceuticals, Inc. 2023-04-06 — — US disclosed
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
WO-2021119081-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS VenatoRx Pharmaceuticals, Inc. (US) 2021-06-17 — — WO disclosed
WO-2021119081-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS VenatoRx Pharmaceuticals, Inc. (US) 2021-06-17 — — WO 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 (7 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-20230107941-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS HAVCR2, COPB1, HDLBP TSHR 4281/4885ALDH1A1 3850/4885MAPT 1087/4885
US-20200123105-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS HAVCR2, COPB1, HDLBP TSHR 4281/4885ALDH1A1 3850/4885MAPT 1087/4885
US-20230062975-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS HAVCR2, COPB1, HDLBP TSHR 4281/4885ALDH1A1 3850/4885MAPT 1087/4885
US-10590076-B2 Hepatitis B capsid assembly modulators HAVCR2, COPB1, HDLBP TSHR 4281/4885ALDH1A1 3850/4885MAPT 1087/4885
US-11566001-B2 Hepatitis B capsid assembly modulators HAVCR2, COPB1, HDLBP TSHR 4281/4885ALDH1A1 3850/4885MAPT 1087/4885
US-20220298110-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS HAVCR2, COPB1, HDLBP TSHR 4281/4885ALDH1A1 3850/4885MAPT 1087/4885
US-11014881-B2 Hepatitis B capsid assembly modulators HAVCR2, COPB1, HDLBP TSHR 4281/4885ALDH1A1 3850/4885MAPT 1087/4885

“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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