SCHEMBL26438577

SCHEMBL26438577

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 4/20 0.45
▸ CHIT1 Q13231 2/20 0.39
▸ CHIA Q9BZP6 2/20 0.39
▸ CHI3L1 P36222 1/20 0.39
▸ NR1H2 P55055 2/20 0.39
▸ NR1H3 Q13133 2/20 0.39
▸ ATM Q13315 1/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ HCRTR1 O43613 2/20 0.36
▸ HCRTR2 O43614 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ NR1D1 P20393 1/20 0.36
▸ VEGFA P15692 1/20 0.35
▸ EGLN1 Q9GZT9 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ USP2 O75604 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
SCHEMBL22903428 1.00 KCNH2 (0.45) KCNH2CHIT1CHIACHI3L1NR1H2
SCHEMBL26439038 0.94 KCNH2 (0.45) KCNH2CHIT1CHIACHI3L1NR1H2
SCHEMBL18607759 0.90 CHIT1 (0.48) KCNH2CHIT1CHIACHI3L1NR1H2
SCHEMBL20747186 0.90 CHIT1 (0.48) KCNH2CHIT1CHIACHI3L1NR1H2
SCHEMBL18589339 0.90 CHIT1 (0.48) KCNH2CHIT1CHIACHI3L1NR1H2
SCHEMBL18607977 0.90 CHIT1 (0.48) KCNH2CHIT1CHIACHI3L1NR1H2
SCHEMBL26439404 0.88 KCNH2 (0.47) KCNH2CHIT1CHIACHI3L1NR1H2
SCHEMBL28692439 0.87 KCNH2 (0.48) KCNH2CHIT1CHIACHI3L1HCRTR1
SCHEMBL26438642 0.86 ATM (0.38) KCNH2CHIT1CHIACHI3L1NR1H2
SCHEMBL28700089 0.86 KCNH2 (0.47) KCNH2CHIT1CHIACHI3L1NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11638707-B2 Substituted amino triazoles useful as chitinase inhibitors MOLECURE S.A. (PL) 2023-05-02 — — US disclosed
EP-3999500-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS CHITINASE INHIBITORS OncoArendi Therapeutics S.A. (PL) 2022-05-25 — — EP 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 (1 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-11638707-B2 Substituted amino triazoles useful as chitinase inhibitors CHIT1, CHIA, CHI3L1 KCNH2 3849/4885CHIT1 1/4885CHIA 2/4885

“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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