SCHEMBL31037192

SCHEMBL31037192

CN[C@H](Cc1ccc(OC(C)(C)C)cc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 2/20 0.50
▸ ITGB3 P05106 2/20 0.47
▸ ITGA2B P08514 2/20 0.47
▸ PPARG P37231 3/20 0.46
▸ ABCB1 P08183 1/20 0.46
▸ FPR2 P25090 2/20 0.45
▸ LDHA P00338 1/20 0.45
▸ MME P08473 1/20 0.45
▸ ACE P12821 1/20 0.45
▸ ACE2 Q9BYF1 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ KDM4A O75164 1/20 0.44
▸ PTPN1 P18031 1/20 0.43
▸ PPARA Q07869 1/20 0.43
▸ KMT2A Q03164 1/20 0.42
▸ CTSL P07711 1/20 0.42
▸ CTSK P43235 1/20 0.42

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
SCHEMBL2034306 1.00 ACACB (0.50) ACACBITGB3ITGA2BPPARGABCB1
SCHEMBL13660693 1.00 ACACB (0.50) ACACBITGB3ITGA2BPPARGABCB1
SCHEMBL28613611 0.88 ITGB3 (0.50) ACACBITGB3ITGA2BPPARGABCB1
SCHEMBL14640271 0.87 FPR2 (0.60) ACACBPPARGFPR2LDHAACE
SCHEMBL8751953 0.85 ACACB (0.48) ACACBITGB3ITGA2BPPARGABCB1
SCHEMBL29398348 0.85 ACACB (0.61) ACACBITGB3ITGA2BPPARGABCB1
SCHEMBL29401256 0.85 ACACB (0.61) ACACBITGB3ITGA2BPPARGABCB1
SCHEMBL8751950 0.85 ACACB (0.48) ACACBITGB3ITGA2BPPARGABCB1
SCHEMBL27569374 0.84 ITGB3 (0.56) ACACBITGB3ITGA2BPPARGABCB1
SCHEMBL27569376 0.84 ITGB3 (0.56) ACACBITGB3ITGA2BPPARGABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3647319-B1 PEPTIDE COMPOUND, APPLICATION THEREOF AND COMPOSITION CONTAINING SAME XDCEXPLORER SHANGHAI CO LTD (CN) 2025-04-09 — — EP disclosed
WO-2025047793-A1 NOVEL COMPOUND HAVING ACTIVITY-ENHANCING EFFECT ON ANTIFUNGAL DRUGS, AND METHOD FOR PRODUCING SAME 学校法人北里研究所 2025-03-06 — — WO disclosed
US-12129312-B2 Peptide compound, application thereof and composition containing same XDCEXPLORER (SHANGHAI) CO., LTD. (CN) 2024-10-29 — — US disclosed
US-20240209023-A1 PEPTIDE COMPOUND, APPLICATION THEREOF AND COMPOSITION CONTAINING SAME XDCEXPLORER (SHANGHAI) CO., LTD. (CN) 2024-06-27 — — 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 (2 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-12129312-B2 Peptide compound, application thereof and composition containing same VIP, NGLY1, FURIN ACACB 4583/4885ITGB3 4612/4885ITGA2B 4738/4885
US-20240209023-A1 PEPTIDE COMPOUND, APPLICATION THEREOF AND COMPOSITION CONTAINING SAME VIP, NGLY1, FURIN ACACB 4558/4885ITGB3 4490/4885ITGA2B 4681/4885

“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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