Sugi Predict

Sugi Predict / Compounds / SCHEMBL17420522

SCHEMBL17420522

SCHEMBL17420522

COc1ccc(C(F)(F)C(=O)O)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 1/20 0.40
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ F2 P00734 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HSD11B1 P28845 1/20 0.38
▸ HTT P42858 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ TUBB4A P04350 1/20 0.36
▸ TUBB P07437 1/20 0.36
▸ TUBA3C P0DPH7 1/20 0.36
▸ TUBA1B P68363 1/20 0.36
▸ TUBA4A P68366 1/20 0.36
▸ TUBB4B P68371 1/20 0.36
▸ TUBB3 Q13509 1/20 0.36
▸ TUBB2A Q13885 1/20 0.36
▸ TUBB8 Q3ZCM7 1/20 0.36
▸ TUBA3E Q6PEY2 1/20 0.36

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
SCHEMBL30628274 1.00 MRGPRX4 (0.40) MRGPRX4CA1CA2ALDH1A1F2
SCHEMBL30087655 0.87 PARP10 (0.42) MRGPRX4CA1CA2ALDH1A1F2
SCHEMBL17420756 0.83 KMT2A (0.44) MRGPRX4ALDH1A1GLA
SCHEMBL30628193 0.83 KMT2A (0.44) MRGPRX4ALDH1A1GLA
SCHEMBL17420502 0.80 ALDH1A1 (0.47) ALDH1A1GLAHPGDNPSR1CES2
SCHEMBL929327 0.78 TRPV4 (0.52) MRGPRX4CA1CA2ALDH1A1HPGD
SCHEMBL30628280 0.77 RAB9A (0.42) CA2ALDH1A1GLAHPGD
SCHEMBL17420645 0.77 RAB9A (0.42) CA2ALDH1A1GLAHPGD
SCHEMBL30947604 0.77 HSD11B1 (0.39) CA1CA2HSD11B1TUBB4ATUBB
SCHEMBL31130640 0.77 TRPV4 (0.50) MRGPRX4CA1CA2ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111170991-B Antiproliferative compounds and methods of synthesis thereof 细胞基因公司 2023-10-31 — — CN disclosed
EP-3594211-B1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF CELGENE CORP (US) 2023-10-25 — — EP disclosed
US-20220387413-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF CELGENE CORP (US) 2022-12-08 — — US disclosed
US-11241423-B2 Antiproliferative compounds and methods of use thereof CELGENE CORPORATION (US) 2022-02-08 — — US disclosed
US-20200163948-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF CELGENE CORP (US) 2020-05-28 — — US disclosed
CN-111170991-A Antiproliferative compounds and methods of synthesis thereof 细胞基因公司 2020-05-19 — — CN disclosed
CN-106660991-B Antiproliferative compounds and methods of use thereof 细胞基因公司 2020-03-13 — — CN disclosed
EP-3166937-B1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF CELGENE CORP (US) 2019-09-04 — — EP disclosed
US-20180221361-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF CELGENE CORP (US) 2018-08-09 — — US disclosed
US-9968596-B2 Antiproliferative compounds and methods of use thereof CELGENE CORPORATION (US) 2018-05-15 — — US disclosed
US-20180021325-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF CELGENE CORP (US) 2018-01-25 — — US disclosed
US-9808451-B2 Antiproliferative compounds and methods of use thereof CELGENE CORPORATION (US) 2017-11-07 — — US disclosed
EP-3166937-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF Celgene Corporation (US) 2017-05-17 — — EP disclosed
US-20170007590-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF CELGENE CORP (US) 2017-01-12 — — US disclosed
US-9499514-B2 Antiproliferative compounds and methods of use thereof CELGENE CORPORATION (US) 2016-11-22 — — US disclosed
US-20160009683-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF CELGENE CORPORATION 2016-01-14 — — US disclosed
WO-2016007848-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF CELGENE CORPORATION (US) 2016-01-14 — — WO 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-20220387413-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF MCL1, MKI67, BAX MRGPRX4 4171/4885CA1 2332/4885CA2 3143/4885
US-20170007590-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF MCL1, MKI67, BAX MRGPRX4 4171/4885CA1 2332/4885CA2 3143/4885
US-11241423-B2 Antiproliferative compounds and methods of use thereof MCL1, MKI67, BAX MRGPRX4 4171/4885CA1 2332/4885CA2 3143/4885
US-20200163948-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF MCL1, MKI67, BAX MRGPRX4 4171/4885CA1 2332/4885CA2 3143/4885
US-20160009683-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF MCL1, MKI67, BAX MRGPRX4 4171/4885CA1 2332/4885CA2 3143/4885
US-20180021325-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF MCL1, MKI67, BAX MRGPRX4 4171/4885CA1 2332/4885CA2 3143/4885
US-20180221361-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF MCL1, MKI67, BAX MRGPRX4 4171/4885CA1 2332/4885CA2 3143/4885

“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.