SCHEMBL3725046

SCHEMBL3725046

CC(C)(C)c1ccc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MDM4 O15151 2/20 0.55
▸ TP53 P04637 2/20 0.55
▸ CASP3 P42574 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ MDM2 Q00987 3/20 0.49
▸ PTPN1 P18031 1/20 0.48
▸ SLC17A5 Q9NRA2 1/20 0.46
▸ ITGB1 P05556 1/20 0.46
▸ ITGA4 P13612 1/20 0.46
▸ ITGB7 P26010 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
SCHEMBL3725047 1.00 MDM4 (0.55) MDM4TP53CASP3ALDH1A1MAPT
SCHEMBL31588379 1.00 MDM4 (0.55) MDM4TP53CASP3ALDH1A1MAPT
SCHEMBL29657386 1.00 MDM4 (0.55) MDM4TP53CASP3ALDH1A1MAPT
SCHEMBL30686153 0.89 MDM2 (0.59) MDM4TP53CASP3MDM2PTPN1
SCHEMBL29397862 0.89 MDM2 (0.59) MDM4TP53CASP3MDM2PTPN1
SCHEMBL29445591 0.89 MDM2 (0.59) MDM4TP53CASP3MDM2PTPN1
SCHEMBL2304915 0.89 MDM2 (0.59) MDM4TP53CASP3MDM2PTPN1
SCHEMBL3724885 0.89 MDM2 (0.59) MDM4TP53CASP3MDM2PTPN1
SCHEMBL2304920 0.89 MDM2 (0.59) MDM4TP53CASP3MDM2PTPN1
SCHEMBL12522498 0.89 MDM4 (0.53) MDM4TP53CASP3MDM2PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112279888-B Polypeptide inhibitor of APC/Asef interaction and application thereof 上海交通大学医学院 2022-09-13 — — CN claimed
CN-112279888-A Polypeptide inhibitor of APC/Asef interaction and application thereof 上海交通大学医学院 2021-01-29 — — CN claimed
US-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-18 — — US disclosed
US-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-18 — — US disclosed
CN-112279888-B Polypeptide inhibitor of APC/Asef interaction and application thereof 上海交通大学医学院 2022-09-13 — — CN disclosed
CN-112209991-B Tripeptide inhibitor of APC/Asef interaction and application thereof 上海交通大学医学院 2022-08-12 — — CN disclosed
US-20220185846-A1 METHODS FOR SYNTHESIZING BETA-HOMOAMINO ACIDS PROTAGONIST THERAPEUTICS, INC. 2022-06-16 — — US disclosed
CN-112279888-A Polypeptide inhibitor of APC/Asef interaction and application thereof 上海交通大学医学院 2021-01-29 — — CN disclosed
WO-2020198682-A1 METHODS FOR SYNTHESIZING β-HOMOAMINO ACIDS PROTAGONIST THERAPEUTICS, INC. (US) 2020-10-01 — — WO disclosed
US-10407468-B2 Methods for synthesizing α4β7 peptide antagonists PROTAGONIST THERAPEUTICS, INC. (US) 2019-09-10 — — US disclosed
US-20170327541-A1 METHODS FOR SYNTHESIZING alpha4ß7 PEPTIDE ANTAGONISTS PROTAGONIST THERAPEUTICS, INC. 2017-11-16 — — US disclosed
US-20170327541-A1 METHODS FOR SYNTHESIZING alpha4ß7 PEPTIDE ANTAGONISTS PROTAGONIST THERAPEUTICS, INC. 2017-11-16 — — US disclosed
WO-2017165676-A1 METHODS FOR SYNTHESIZING α4β7 PEPTIDE ANTAGONISTS PROTAGONIST THERAPEUTICS, INC. (US) 2017-09-28 — — WO disclosed
US-8338565-B2 Macrocyclic compounds for inhibition of tumor necrosis factor alpha ENSEMBLE THERAPEUTICS CORPORATION (US) 2012-12-25 — — US disclosed
US-20100152099-A1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF TUMOR NECROSIS FACTOR ALPHA ENSEMBLE THERAPEUTICS CORPORATION 2010-06-17 — — 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 (5 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-10407468-B2 Methods for synthesizing α4β7 peptide antagonists PSMA7, VIP, ITGB7 MDM4 1713/4885TP53 3480/4885CASP3 3944/4885
US-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION KRAS, NRAS, HRAS MDM4 441/4885TP53 34/4885CASP3 3906/4885
US-20220185846-A1 METHODS FOR SYNTHESIZING BETA-HOMOAMINO ACIDS PSMA7, ITGB7, SCN7A MDM4 2020/4885TP53 4405/4885CASP3 3125/4885
US-20100152099-A1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF TUMOR NECROSIS FACTOR ALPHA TNF, CD40, TNFRSF1A MDM4 1060/4885TP53 573/4885CASP3 549/4885
US-20170327541-A1 METHODS FOR SYNTHESIZING alpha4ß7 PEPTIDE ANTAGONISTS PSMA7, PSMA4, IL4 MDM4 363/4885TP53 3268/4885CASP3 3588/4885

“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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