Sugi Predict

Sugi Predict / Compounds / SCHEMBL1595571

SCHEMBL1595571

SCHEMBL1595571

CC(C)(C)OC(=O)C(Cc1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGA4 P13612 1/20 0.51
▸ ITGB7 P26010 1/20 0.51
▸ ATM Q13315 1/20 0.49
▸ MMP8 P22894 1/20 0.49
▸ MDM2 Q00987 1/20 0.49
▸ CYP1A2 P05177 1/20 0.48
▸ ACE P12821 1/20 0.48
▸ POLB P06746 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ CTSS P25774 2/20 0.47
▸ CTSL P07711 1/20 0.47
▸ CTSB P07858 1/20 0.47
▸ CTSK P43235 1/20 0.47
▸ SLC7A5 Q01650 2/20 0.47
▸ SRR Q9GZT4 1/20 0.46
▸ LDHA P00338 1/20 0.46
▸ ALPI P09923 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ PTGS1 P23219 1/20 0.46

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
SCHEMBL4909735 1.00 ITGA4 (0.51) ITGA4ITGB7ATMMMP8MDM2
SCHEMBL1595565 1.00 ITGA4 (0.51) ITGA4ITGB7ATMMMP8MDM2
SCHEMBL9160311 0.95 ITGA4 (0.52) ITGA4ITGB7ATMMMP8MDM2
SCHEMBL8071397 0.89 ITGA4 (0.48) ITGA4ITGB7ATMMMP8MDM2
SCHEMBL5711183 0.89 ITGA4 (0.48) ITGA4ITGB7ATMMMP8MDM2
SCHEMBL17202990 0.89 ITGA4 (0.54) ITGA4ITGB7ATMMMP8MDM2
SCHEMBL3522492 0.87 PPARA (0.56) —
SCHEMBL3522497 0.87 PPARA (0.56) —
SCHEMBL6464419 0.87 ITGA4 (0.47) ITGA4ITGB7ATMMMP8MDM2
SCHEMBL9556107 0.87 MMP8 (0.62) ITGA4ITGB7ATMMMP8MDM2

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110637025-B Peptide amide compound, preparation method and medical application thereof 四川海思科制药有限公司 2023-07-18 — — CN disclosed
CN-109280076-B Peptide amide compound, preparation method and medical application thereof 四川海思科制药有限公司 2022-04-05 — — CN disclosed
CN-114133443-A Fatty acids and their use in conjugation with biomolecules 诺华股份有限公司 2022-03-04 — — CN disclosed
CN-114099693-A Fatty acids and their use in conjugation with biomolecules 诺华股份有限公司 2022-03-01 — — CN disclosed
CN-107073130-B Fatty acids and their use in conjugation with biomolecules 诺华股份有限公司 2021-11-16 — — CN disclosed
EP-3134408-B1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME (US) 2020-08-12 — — EP disclosed
CN-110637025-A Peptide amide compound, preparation method and medical application thereof 四川海思科制药有限公司 2019-12-31 — — CN disclosed
US-10093683-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2018-10-09 — — US disclosed
EP-3134408-A1 FACTOR XIa INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-03-01 — — EP disclosed
US-20170044183-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-02-16 — — US disclosed
US-20120177573-A1 METHODS FOR CONJUGATING NUCLEIC ACIDS WITH SMALL MOLECULES KAOHSIUNG MEDICAL UNIVERSITY (TW) 2012-07-12 — — US disclosed
US-20120115811-A1 PHENYLANALINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS AMGEN INC. (US) 2012-05-10 — — US disclosed
US-7919504-B2 Thiadiazole modulators of PKB AMGEN INC. (US) 2011-04-05 — — US disclosed
WO-2010093849-A2 PHENYLALANINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS AMGEN INC. (US) 2010-08-19 — — WO disclosed
EP-2167504-A2 THIADIAZOLE MODULATORS OF PKB Amgen, Inc (US) 2010-03-31 — — EP disclosed
US-20090298836-A1 Thiadiazole modulators of PKB AMGEN INC. (US) 2009-12-03 — — US disclosed
WO-2009011871-A2 THIADIAZOLE MODULATORS OF PKB AMGEN INC. (US) 2009-01-22 — — WO disclosed
US-20080255149-A1 Carboxyamine Compounds and Methods of Use Thereof NOVARTIS AG 2008-10-16 — — US disclosed
CN-1213368-A Hydroxamic acid based collagenase inhibitors SMITHKLINE BEECHAM PLC (GB) 1999-04-07 — — CN disclosed
US-4277395-A OF ELASTASE; OLIGOPEPTIDES RICHARDSON-MERRELL INC. (US) 1981-07-07 — — 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-20170044183-A1 FACTOR XIa INHIBITORS F11, SERPINC1, TFPI ITGA4 1929/4885ITGB7 1341/4885ATM 1476/4885
US-10093683-B2 Factor XIa inhibitors F11, F12, SERPINC1 ITGA4 1451/4885ITGB7 921/4885ATM 1457/4885
US-20090298836-A1 Thiadiazole modulators of PKB PDK1, PDK2, MTOR ITGA4 3336/4885ITGB7 1874/4885ATM 317/4885
US-20080255149-A1 Carboxyamine Compounds and Methods of Use Thereof HNMT, HDAC5, HDAC4 ITGA4 1981/4885ITGB7 2168/4885ATM 3034/4885
US-20120177573-A1 METHODS FOR CONJUGATING NUCLEIC ACIDS WITH SMALL MOLECULES RNGTT, POLM, POLRMT ITGA4 3201/4885ITGB7 2471/4885ATM 2222/4885
US-20120115811-A1 PHENYLANALINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS IAPP, INSR, AMY2A ITGA4 4400/4885ITGB7 4500/4885ATM 2198/4885

“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.