Sugi Predict

Sugi Predict / Compounds / SCHEMBL17420441

SCHEMBL17420441

SCHEMBL17420441

Cc1cc(C(F)(F)C(=O)O)ccc1OC(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.48
▸ HTR2A P28223 1/20 0.48
▸ HTR2C P28335 1/20 0.48
▸ HTR2B P41595 1/20 0.48
▸ RXRA P19793 1/20 0.42
▸ RXRB P28702 1/20 0.42
▸ RXRG P48443 1/20 0.42
▸ PTGDR2 Q9Y5Y4 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ PPARD Q03181 3/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ P2RX3 P56373 1/20 0.39
▸ KCNK3 O14649 1/20 0.39
▸ KCNK9 Q9NPC2 1/20 0.39
▸ MRGPRX4 Q96LA9 1/20 0.39

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
SCHEMBL30628344 1.00 TSHR (0.48) TSHRHTR2AHTR2CHTR2BRXRA
SCHEMBL30628303 0.86 RXRA (0.41) RXRARXRBRXRGPTGDR2LMNA
SCHEMBL17420659 0.86 RXRA (0.41) RXRARXRBRXRGPTGDR2LMNA
SCHEMBL30087646 0.86 IRAK4 (0.43) TSHRHTR2AHTR2CHTR2BRXRA
SCHEMBL17420650 0.85 RORC (0.50) RXRARXRBRXRGPTGDR2SMN1; SMN2
SCHEMBL17420539 0.82 P2RX3 (0.43) TSHRHTR2AHTR2CHTR2BRXRA
SCHEMBL17420440 0.82 PPARD (0.41) PTGDR2PPARDPPARAMRGPRX4FFAR4
SCHEMBL30628284 0.82 PPARD (0.41) PTGDR2PPARDPPARAMRGPRX4FFAR4
SCHEMBL16957141 0.80 MRGPRX4 (0.40) HTR2AHTR2CHTR2BRXRARXRB
SCHEMBL17420448 0.77 KMT2A (0.55) LMNASMN1; SMN2GRB2PTPN5

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
WO-2016007848-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF CELGENE CORPORATION (US) 2016-01-14 — — WO disclosed
US-20160009683-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF CELGENE CORPORATION 2016-01-14 — — 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-20220387413-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF MCL1, MKI67, BAX TSHR 4516/4885HTR2A 3779/4885HTR2C 4089/4885
US-20170007590-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF MCL1, MKI67, BAX TSHR 4516/4885HTR2A 3779/4885HTR2C 4089/4885
US-11241423-B2 Antiproliferative compounds and methods of use thereof MCL1, MKI67, BAX TSHR 4516/4885HTR2A 3779/4885HTR2C 4089/4885
US-20200163948-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF MCL1, MKI67, BAX TSHR 4516/4885HTR2A 3779/4885HTR2C 4089/4885
US-20160009683-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF MCL1, MKI67, BAX TSHR 4516/4885HTR2A 3779/4885HTR2C 4089/4885
US-20180021325-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF MCL1, MKI67, BAX TSHR 4516/4885HTR2A 3779/4885HTR2C 4089/4885
US-20180221361-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF MCL1, MKI67, BAX TSHR 4516/4885HTR2A 3779/4885HTR2C 4089/4885

“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.