SCHEMBL27131685

SCHEMBL27131685

C=CCOC(=O)N(C)C(CC(C)C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.39
▸ CTSL P07711 1/20 0.33
▸ CTSB P07858 1/20 0.33
▸ CTSS P25774 1/20 0.33
▸ CTSK P43235 1/20 0.33
▸ TSHR P16473 2/20 0.33
▸ RNPEP Q9H4A4 1/20 0.32
▸ SLC7A5 Q01650 1/20 0.32
▸ MME P08473 1/20 0.31
▸ NPSR1 Q6W5P4 2/20 0.31
▸ CYP3A4 P08684 1/20 0.30
▸ CPA1 P15085 1/20 0.30

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
SCHEMBL27032963 1.00 TDP1 (0.39) TDP1CTSLCTSBCTSSCTSK
SCHEMBL30564475 0.81 TSHR (0.38) TDP1TSHRCYP3A4
SCHEMBL27032786 0.81 MMP2 (0.46) CTSLCTSBCTSSCTSKRNPEP
SCHEMBL27145013 0.81 MMP2 (0.46) CTSLCTSBCTSSCTSKRNPEP
SCHEMBL30639539 0.81 MMP2 (0.46) CTSLCTSBCTSSCTSKRNPEP
SCHEMBL28894252 0.80 TDP1 (0.39) TDP1TSHRCYP3A4
SCHEMBL31678050 0.80 CTSL (0.33) TDP1CTSLCTSBCTSSCTSK
SCHEMBL2969773 0.76 ITGB3 (0.45) NPSR1CYP3A4
SCHEMBL6130393 0.76 ITGB3 (0.45) NPSR1CYP3A4
SCHEMBL7375873 0.75 ALDH1A1 (0.39) CTSLCTSBCTSSCTSKTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250268979-A1 COMBINATION OF MACROCYCLIC CFTR MODULATORS WITH CFTR CORRECTORS AND / OR CFTR POTENTIATORS IDORSIA PHARMACEUTICALS LTD (CH) 2025-08-28 — — US disclosed
US-20240208992-A1 MACROCYCLES AS CFTR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2024-06-27 — — US 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

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-20250268979-A1 COMBINATION OF MACROCYCLIC CFTR MODULATORS WITH CFTR CORRECTORS AND / OR CFTR POTENTIATORS CFTR, RRS1, PKD1 TDP1 3748/4885CTSL 2425/4885CTSB 2783/4885
US-20240208992-A1 MACROCYCLES AS CFTR MODULATORS CFTR, PKD1, ARRB1 TDP1 4270/4885CTSL 4121/4885CTSB 3816/4885

“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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