SCHEMBL119859

SCHEMBL119859

C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MDM4 O15151 3/20 0.57
▸ TP53 P04637 3/20 0.57
▸ CASP3 P42574 2/20 0.52
▸ MDM2 Q00987 5/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ SLC17A5 Q9NRA2 1/20 0.48
▸ TLR2 O60603 1/20 0.47

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
SCHEMBL12493153 1.00 MDM4 (0.57) MDM4TP53CASP3MDM2KMT2A
SCHEMBL29547329 1.00 MDM4 (0.57) MDM4TP53CASP3MDM2KMT2A
SCHEMBL29398074 1.00 MDM4 (0.57) MDM4TP53CASP3MDM2KMT2A
SCHEMBL29552281 1.00 MDM4 (0.57) MDM4TP53CASP3MDM2KMT2A
SCHEMBL29400538 1.00 MDM4 (0.57) MDM4TP53CASP3MDM2KMT2A
SCHEMBL30695566 1.00 MDM4 (0.57) MDM4TP53CASP3MDM2KMT2A
SCHEMBL119866 1.00 MDM4 (0.57) MDM4TP53CASP3MDM2KMT2A
SCHEMBL29398455 1.00 MDM4 (0.57) MDM4TP53CASP3MDM2KMT2A
SCHEMBL8656057 0.90 MDM4 (0.59) MDM4TP53CASP3MDM2KMT2A
SCHEMBL14029674 0.89 MDM4 (0.48) MDM4TP53CASP3MDM2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109810138-B Targeting mitochondrial small molecule probe and preparation method and application thereof 浙江工业大学 2021-04-06 — — CN claimed
CN-109810138-A A kind of targetted mitochondria Small-molecule probe and its preparation method and application 浙江工业大学 2019-05-28 — — CN claimed
CN-117330621-A High-throughput screening method for asymmetric catalytic reaction 武汉大学 2024-01-02 — — CN disclosed
WO-2022234867-A1 SULFONAMIDE HAVING MMP 7-INHIBITING ACTION 大正製薬株式会社 2022-11-10 — — WO disclosed
US-10030049-B2 Triazole macrocycle systems AILERON THERAPEUTICS, INC. (US) 2018-07-24 — — US disclosed
US-10022422-B2 Peptidomimetic macrocycles Alleron Therapeutics, Inc. (US) 2018-07-17 — — US disclosed
US-9957296-B2 Triazole macrocycle systems AILERON THERAPEUTICS, INC. (US) 2018-05-01 — — US disclosed
US-20170349638-A1 COMPANION DIAGNOSTIC TOOL FOR PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2017-12-07 — — US disclosed
WO-2017205786-A1 CELL PERMEABLE PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2017-11-30 — — WO disclosed
US-20170299576-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2017-10-19 — — US disclosed
US-20170298099-A1 BIOLOGICALLY ACTIVE PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2017-10-19 — — US disclosed
US-20100298201-A1 PEPTIDOMIMETIC MACROCYCLES WITH IMPROVED PROPERTIES AILERON THERAPEUTICS, INC. (US) 2010-11-25 — — US disclosed
US-20100216688-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2010-08-26 — — US disclosed
US-20090326192-A1 BIOLOGICALLY ACTIVE PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2009-12-31 — — US disclosed
US-20090275519-A1 Therapeutic peptidomimetic macrocycles AILERON THERAPEUTICS, INC. (US) 2009-11-05 — — US disclosed
US-20080262200-A1 Triazole Macrocycle Systems AILERON THERAPEUTICS, INC., A DELAWARE CORPORATION (US) 2008-10-23 — — US disclosed
US-20080249106-A1 3-(1-((R)-7-((4-fluoropiperidin-1-yl)methyl)-3,4-dihydro-2H-chromen-4-yl)-1H-1,2,3-triazol-4-yl)-2-(4-methylphenylsulfonamido)propanoic acid; chronic pain analgesics; side effect reduction AMGEN INC. 2008-10-09 — — US disclosed
US-20080249106-A1 3-(1-((R)-7-((4-fluoropiperidin-1-yl)methyl)-3,4-dihydro-2H-chromen-4-yl)-1H-1,2,3-triazol-4-yl)-2-(4-methylphenylsulfonamido)propanoic acid; chronic pain analgesics; side effect reduction AMGEN INC. 2008-10-09 — — US disclosed
US-7414134-B2 B1 bradykinin receptor antagonists AMGEN INC. (US) 2008-08-19 — — US disclosed
US-7414134-B2 B1 bradykinin receptor antagonists AMGEN INC. (US) 2008-08-19 — — 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 (11 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-20080262200-A1 Triazole Macrocycle Systems FLT3, VIP, NGLY1 MDM4 2516/4885TP53 1760/4885CASP3 1657/4885
US-10030049-B2 Triazole macrocycle systems FLT3, VIP, NGLY1 MDM4 2516/4885TP53 1760/4885CASP3 1657/4885
US-20090326192-A1 BIOLOGICALLY ACTIVE PEPTIDOMIMETIC MACROCYCLES VIP, ANPEP, DNPEP MDM4 2135/4885TP53 691/4885CASP3 909/4885
US-20170349638-A1 COMPANION DIAGNOSTIC TOOL FOR PEPTIDOMIMETIC MACROCYCLES TP53, TP53BP1, VHL MDM4 10/4885TP53 1/4885CASP3 949/4885
US-20080249106-A1 3-(1-((R)-7-((4-fluoropiperidin-1-yl)methyl)-3,4-dihydro-2H-chromen-4-yl)-1H-1,2,3-triazol-4-yl)-2-(4-methylphenylsulfonamido)propanoic acid; chronic pain analgesics; side effect reduction BDKRB1, BDKRB2, FPR1 MDM4 4777/4885TP53 4446/4885CASP3 2103/4885
US-20100216688-A1 PEPTIDOMIMETIC MACROCYCLES CCL2, TAP2, TAP1 MDM4 655/4885TP53 980/4885CASP3 1868/4885
US-20170298099-A1 BIOLOGICALLY ACTIVE PEPTIDOMIMETIC MACROCYCLES VIP, ANPEP, DNPEP MDM4 2135/4885TP53 691/4885CASP3 909/4885
US-20100298201-A1 PEPTIDOMIMETIC MACROCYCLES WITH IMPROVED PROPERTIES VIP, ANPEP, NGLY1 MDM4 1737/4885TP53 763/4885CASP3 1759/4885
US-20170299576-A1 PEPTIDOMIMETIC MACROCYCLES CCL2, TAP2, TAP1 MDM4 655/4885TP53 980/4885CASP3 1868/4885
US-20090275519-A1 Therapeutic peptidomimetic macrocycles PCNA, MKI67, NFATC1 MDM4 517/4885TP53 6/4885CASP3 1684/4885
US-10022422-B2 Peptidomimetic macrocycles HAVCR2, ZC3HAV1, ZC3HAV1L MDM4 1962/4885TP53 591/4885CASP3 1057/4885

“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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