SCHEMBL14300985

SCHEMBL14300985

COC(=O)[C@@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KLK5 Q9Y337 3/20 0.64
▸ KLK7 P49862 1/20 0.64
▸ PPARA Q07869 3/20 0.56
▸ CACNA1B Q00975 5/20 0.53
▸ SYK P43405 1/20 0.53
▸ CTSS P25774 4/20 0.53
▸ CTSK P43235 3/20 0.51
▸ PPARG P37231 2/20 0.51
▸ CTSL P07711 1/20 0.51
▸ CTSB P07858 1/20 0.51
▸ KYNU Q16719 1/20 0.50
▸ ACE P12821 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.48
▸ ALOX15 P16050 1/20 0.48

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
SCHEMBL5870038 1.00 KLK5 (0.64) KLK5KLK7PPARACACNA1BSYK
SCHEMBL14300984 1.00 KLK5 (0.64) KLK5KLK7PPARACACNA1BSYK
SCHEMBL12585497 0.94 KLK5 (0.65) KLK5KLK7PPARACACNA1BSYK
SCHEMBL10585294 0.94 KLK5 (0.65) KLK5KLK7PPARACACNA1BSYK
SCHEMBL4370045 0.94 KLK5 (0.65) KLK5KLK7PPARACACNA1BSYK
SCHEMBL9943561 0.94 KLK5 (0.65) KLK5KLK7PPARACACNA1BSYK
SCHEMBL9943562 0.94 KLK5 (0.65) KLK5KLK7PPARACACNA1BSYK
SCHEMBL344670 0.91 PPARA (0.63) KLK5KLK7PPARACACNA1BSYK
SCHEMBL344669 0.91 PPARA (0.63) KLK5KLK7PPARACACNA1BSYK
SCHEMBL84710 0.91 PPARA (0.63) KLK5KLK7PPARACACNA1BSYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260098060-A1 MACROCYCLIC CFTR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2026-04-09 — — US disclosed
EP-4587443-A1 MACROCYCLIC CFTR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2025-07-23 — — EP disclosed
US-20240208992-A1 MACROCYCLES AS CFTR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2024-06-27 — — US disclosed
WO-2024056798-A1 MACROCYCLIC CFTR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2024-03-21 — — WO disclosed
EP-4308575-A1 MACROCYCLES AS CFTR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2024-01-24 — — EP disclosed
CN-116981672-A Macrocyclic compounds as CFTR modulators 爱杜西亚药品有限公司 2023-10-31 — — CN disclosed
WO-2022194399-A1 MACROCYCLES AS CFTR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2022-09-22 — — WO disclosed
WO-2008022365-A2 COMPOSITIONS FOR INFLUENCING THE EFFECTS OF ORGANOPHOSPHORUS COMPOUNDS AND USE OF GALANTHAMINE, ITS DERIVATIVES AND ANALOGUES FOR PRODUCING SUCH COMPOSITIONS SANOCHEMIA LTD. (MT) 2008-02-28 — — WO 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-20260098060-A1 MACROCYCLIC CFTR MODULATORS CFTR, CLIC1, ARRB1 KLK5 4024/4885KLK7 3862/4885PPARA 2255/4885
US-20240208992-A1 MACROCYCLES AS CFTR MODULATORS CFTR, PKD1, ARRB1 KLK5 3192/4885KLK7 3334/4885PPARA 2569/4885

“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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