SCHEMBL26438868

SCHEMBL26438868

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHIT1 Q13231 5/20 0.39
▸ NR1H2 P55055 2/20 0.38
▸ NR1H3 Q13133 2/20 0.38
▸ CHIA Q9BZP6 3/20 0.37
▸ ATM Q13315 1/20 0.37
▸ NPSR1 Q6W5P4 4/20 0.37
▸ HTT P42858 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ LTB4R Q15722 1/20 0.37
▸ LTB4R2 Q9NPC1 1/20 0.37
▸ MEN1 O00255 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ NR1D1 P20393 2/20 0.36
▸ CHI3L1 P36222 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ VEGFA P15692 1/20 0.36
▸ EGLN1 Q9GZT9 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36

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
SCHEMBL22903559 1.00 CHIT1 (0.39) CHIT1NR1H2NR1H3CHIAATM
SCHEMBL18589427 0.91 NR1H2 (0.39) CHIT1NR1H2NR1H3CHIAATM
SCHEMBL18607649 0.91 NR1H2 (0.39) CHIT1NR1H2NR1H3CHIAATM
SCHEMBL18577422 0.91 NR1H2 (0.39) CHIT1NR1H2NR1H3CHIAATM
SCHEMBL18607758 0.91 NR1H2 (0.39) CHIT1NR1H2NR1H3CHIAATM
SCHEMBL26707702 0.91 CHIT1 (0.45) CHIT1NR1H2NR1H3CHIAATM
SCHEMBL18607756 0.89 P2RX3 (0.41) CHIT1NR1H2NR1H3CHIAATM
SCHEMBL18609870 0.89 P2RX3 (0.41) CHIT1NR1H2NR1H3CHIAATM
SCHEMBL18607754 0.89 P2RX3 (0.41) CHIT1NR1H2NR1H3CHIAATM
SCHEMBL18589472 0.89 P2RX3 (0.41) CHIT1NR1H2NR1H3CHIAATM

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 1/4885NR1H2 812/4885NR1H3 708/4885

“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.

Send feedback