SCHEMBL24362149

SCHEMBL24362149

CC(C)(C)OC(=O)Nc1ccc(O)cc1NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.47
▸ KCNQ4 P56696 3/20 0.45
▸ KCNQ5 Q9NR82 3/20 0.45
▸ MIF P14174 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ NQO2 P16083 1/20 0.43
▸ CYP17A1 P05093 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ ATR Q13535 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PDK1 Q15118 1/20 0.40
▸ PDK2 Q15119 1/20 0.40

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
SCHEMBL29618957 1.00 HPGD (0.47) HPGDKCNQ4KCNQ5MIFRXFP1
SCHEMBL31470226 0.87 CYP3A4 (0.45) MIFRXFP1CYP1A2CYP2C19NQO2
SCHEMBL13636106 0.87 CYP3A4 (0.45) MIFRXFP1CYP1A2CYP2C19NQO2
SCHEMBL29958958 0.87 SMN1; SMN2 (0.47) HPGDMIFRXFP1NQO2POLB
SCHEMBL2770751 0.87 SMN1; SMN2 (0.47) HPGDMIFRXFP1NQO2POLB
SCHEMBL1767849 0.85 KMT2A (0.52) MIFRXFP1LMNAMEN1RAB9A
SCHEMBL2363945 0.85 CYP17A1 (0.53) KCNQ4KCNQ5MIFRXFP1NQO2
SCHEMBL20057682 0.85 AAK1 (0.47) MIFRXFP1NQO2LMNAPOLB
SCHEMBL29834708 0.85 CYP17A1 (0.53) KCNQ4KCNQ5MIFRXFP1NQO2
SCHEMBL31619048 0.85 KMT2A (0.52) MIFRXFP1LMNAMEN1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230148448-A9 BENZOTHIAZOLE DERIVATIVES AND 7-AZA-BENZOTHIAZOLE DERIVATIVES AS JANUS KINASE 2 INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-05-11 — — US disclosed
US-20230148448-A9 BENZOTHIAZOLE DERIVATIVES AND 7-AZA-BENZOTHIAZOLE DERIVATIVES AS JANUS KINASE 2 INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-05-11 — — US disclosed
US-20220127284-A1 BENZOTHIAZOLE DERIVATIVES AND 7-AZA-BENZOTHIAZOLE DERIVATIVES AS JANUS KINASE 2 INHIBITORS AND USES THEREOF GRAY NATHANAEL S (US) 2022-04-28 — — 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 (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-20230148448-A9 BENZOTHIAZOLE DERIVATIVES AND 7-AZA-BENZOTHIAZOLE DERIVATIVES AS JANUS KINASE 2 INHIBITORS AND USES THEREOF JAK2, JAK1, JAK3 HPGD 1355/4885KCNQ4 1565/4885KCNQ5 1320/4885
US-20220127284-A1 BENZOTHIAZOLE DERIVATIVES AND 7-AZA-BENZOTHIAZOLE DERIVATIVES AS JANUS KINASE 2 INHIBITORS AND USES THEREOF JAK2, JAK1, JAK3 HPGD 1355/4885KCNQ4 1565/4885KCNQ5 1320/4885

“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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