SCHEMBL26438873

SCHEMBL26438873

CC(O)[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](Cc2ccc(Cl)cc2)CO1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHIT1 Q13231 5/20 0.38
▸ CHIA Q9BZP6 5/20 0.38
▸ CHI3L1 P36222 3/20 0.38
▸ ATM Q13315 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ NR1D1 P20393 1/20 0.37
▸ NR1H2 P55055 2/20 0.36
▸ NR1H3 Q13133 2/20 0.36
▸ KCNH2 Q12809 3/20 0.36
▸ P2RX3 P56373 2/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ CYP2C19 P33261 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
SCHEMBL28686316 1.00 CHIT1 (0.38) CHIT1CHIACHI3L1ATMHTT
SCHEMBL22903686 1.00 CHIT1 (0.38) CHIT1CHIACHI3L1ATMHTT
SCHEMBL26438893 0.91 CHIT1 (0.37) CHIT1CHIACHI3L1ATMHTT
SCHEMBL28686358 0.91 CHIT1 (0.37) CHIT1CHIACHI3L1ATMHTT
SCHEMBL26438642 0.90 ATM (0.38) CHIT1CHIACHI3L1ATMHTT
SCHEMBL22903581 0.89 KCNH2 (0.47) CHIT1CHIACHI3L1ATMHTT
SCHEMBL20629109 0.89 ATM (0.38) CHIT1CHIACHI3L1ATMHTT
SCHEMBL28700089 0.89 KCNH2 (0.47) CHIT1CHIACHI3L1ATMHTT
SCHEMBL26438837 0.89 KCNH2 (0.47) CHIT1CHIACHI3L1ATMHTT
SCHEMBL28690327 0.86 NR1H3 (0.39) CHIT1CHIACHI3L1ATMNR1D1

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
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 (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 CHIT1 1/4885CHIA 2/4885CHI3L1 3/4885

“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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