SCHEMBL18589399

SCHEMBL18589399

COC[C@H]1CN(C2CCN(C(=O)OC(C)(C)C)CC2)C(Cc2ccc(Cl)cc2)CO1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CHIT1 Q13231 12/20 0.60
▸ CHIA Q9BZP6 11/20 0.60
▸ CHI3L1 P36222 7/20 0.60
▸ KCNH2 Q12809 14/20 0.57
▸ CHI3L2 Q15782 1/20 0.46
▸ STS P08842 1/20 0.43

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
SCHEMBL18610245 1.00 CHIT1 (0.60) CHIT1CHIACHI3L1KCNH2CHI3L2
SCHEMBL18609556 1.00 CHIT1 (0.60) CHIT1CHIACHI3L1KCNH2CHI3L2
SCHEMBL18577086 1.00 CHIT1 (0.60) CHIT1CHIACHI3L1KCNH2CHI3L2
SCHEMBL21565806 0.91 CHIT1 (0.50) CHIT1CHIACHI3L1KCNH2CHI3L2
SCHEMBL18577111 0.91 CHIT1 (0.50) CHIT1CHIACHI3L1KCNH2CHI3L2
SCHEMBL18589401 0.91 CHIT1 (0.50) CHIT1CHIACHI3L1KCNH2CHI3L2
SCHEMBL18609989 0.91 CHIT1 (0.50) CHIT1CHIACHI3L1KCNH2CHI3L2
SCHEMBL18577482 0.91 CHIT1 (0.57) CHIT1CHIACHI3L1KCNH2CHI3L2
SCHEMBL18609869 0.91 CHIT1 (0.57) CHIT1CHIACHI3L1KCNH2CHI3L2
SCHEMBL18607914 0.91 CHIT1 (0.57) CHIT1CHIACHI3L1KCNH2CHI3L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10208020-B2 Substituted amino triazoles useful as human chitinase inhibitors Oncoarendi Therapeutics S.A. (PL) 2019-02-19 — — US disclosed
US-9944624-B2 Substituted amino triazoles useful as human chitinase inhibitors Oncoarendi Therapeutics S.A. (PL) 2018-04-17 — — US disclosed
US-20170066743-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS GALAPAGOS NV (BE) 2017-03-09 — — US 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-10208020-B2 Substituted amino triazoles useful as human chitinase inhibitors CHIA, CHIT1, AADAC CHIT1 2/4885CHIA 1/4885CHI3L1 4/4885
US-20170066743-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS CHIA, CHIT1, AADAC CHIT1 2/4885CHIA 1/4885CHI3L1 4/4885

“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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