SCHEMBL26438655

SCHEMBL26438655

CC(C)(C)OC(=O)N1C[C@H](CF)OC[C@@H]1Cc1ccc(Cl)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 2/20 0.37
▸ NR1H3 Q13133 2/20 0.37
▸ ATM Q13315 1/20 0.36
▸ NPSR1 Q6W5P4 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ NR1D1 P20393 2/20 0.36
▸ KCNH2 Q12809 2/20 0.36
▸ ALOX5AP P20292 2/20 0.36
▸ CHIT1 Q13231 5/20 0.35
▸ CHI3L1 P36222 4/20 0.35
▸ CHIA Q9BZP6 4/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ VEGFA P15692 1/20 0.35
▸ EGLN1 Q9GZT9 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35

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
SCHEMBL18607648 0.90 CHIT1 (0.43) NR1H2NR1H3ATMNPSR1SMN1; SMN2
SCHEMBL18609560 0.90 CHIT1 (0.43) NR1H2NR1H3ATMNPSR1SMN1; SMN2
SCHEMBL18589412 0.90 CHIT1 (0.43) NR1H2NR1H3ATMNPSR1SMN1; SMN2
SCHEMBL26438846 0.90 KCNH2 (0.36) NR1H2NR1H3ATMNPSR1SMN1; SMN2
SCHEMBL22903580 0.89 NR1H2 (0.37) NR1H2NR1H3KMT2A
SCHEMBL26707509 0.89 KCNH2 (0.37) NR1H2NR1H3ATMNPSR1SMN1; SMN2
SCHEMBL22903589 0.89 NR1H2 (0.37) NR1H2NR1H3KMT2A
SCHEMBL22903717 0.89 KCNH2 (0.37) NR1H2NR1H3ATMNPSR1SMN1; SMN2
SCHEMBL26438673 0.89 NR1H2 (0.35) NR1H2NR1H3ATMNPSR1SMN1; SMN2
SCHEMBL26605756 0.88 ATM (0.40) NR1H2NR1H3ATMNPSR1SMN1; SMN2

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
EP-4269400-B1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS MOLECURE SA (PL) 2025-07-09 — — EP disclosed
US-20230348516-A1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS MOLECURE S.A. (PL) 2023-11-02 — — US disclosed
US-20230348516-A1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS MOLECURE S.A. (PL) 2023-11-02 — — US disclosed
US-11638707-B2 Substituted amino triazoles useful as chitinase inhibitors MOLECURE S.A. (PL) 2023-05-02 — — US disclosed
CN-114174280-A Substituted aminotriazoles useful as chitinase inhibitors 昂科艾伦迪治疗法公司 2022-03-11 — — CN 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-20230348516-A1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS CHI3L1, CHI3L2, CHIA NR1H2 3917/4885NR1H3 4094/4885ATM 1030/4885
US-11638707-B2 Substituted amino triazoles useful as chitinase inhibitors CHIT1, CHIA, CHI3L1 NR1H2 812/4885NR1H3 708/4885ATM 543/4885

“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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