SCHEMBL18577375

SCHEMBL18577375

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

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHIT1 Q13231 10/20 0.53
▸ CHIA Q9BZP6 5/20 0.53
▸ GRIN2B Q13224 2/20 0.42
▸ KCNH2 Q12809 3/20 0.42
▸ RXRB P28702 1/20 0.39
▸ CHI3L1 P36222 3/20 0.37
▸ CHI3L2 Q15782 1/20 0.37
▸ HCRTR1 O43613 2/20 0.37
▸ HCRTR2 O43614 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ POLB P06746 1/20 0.36
▸ CACNA1G O43497 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
SCHEMBL26605678 0.91 CHIT1 (0.54) CHIT1CHIAGRIN2BKCNH2CHI3L1
SCHEMBL26605591 0.90 CHIT1 (0.45) CHIT1CHIAGRIN2BKCNH2CHI3L1
SCHEMBL26605535 0.89 CHIT1 (0.46) CHIT1CHIAKCNH2CHI3L1CHI3L2
SCHEMBL25385125 0.88 CHIT1 (0.42) CHIT1CHIAKCNH2CHI3L1CHI3L2
SCHEMBL18577289 0.87 CHIT1 (0.42) CHIT1CHIAKCNH2CHI3L1CHI3L2
SCHEMBL26605744 0.86 CHIT1 (0.50) CHIT1CHIAKCNH2CHI3L1CHI3L2
SCHEMBL18607749 0.86 CHIT1 (0.48) CHIT1CHIAGRIN2BKCNH2RXRB
SCHEMBL18589463 0.86 CHIT1 (0.48) CHIT1CHIAGRIN2BKCNH2RXRB
SCHEMBL18610038 0.86 CHIT1 (0.48) CHIT1CHIAGRIN2BKCNH2RXRB
SCHEMBL18589334 0.86 CHIT1 (0.48) CHIT1CHIAGRIN2BKCNH2RXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230278996-A1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS MOLECURE S.A. (PL) 2023-09-07 — — US disclosed
US-20190345137-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS GALAPAGOS NV (BE) 2019-11-14 — — US disclosed
US-10208020-B2 Substituted amino triazoles useful as human chitinase inhibitors Oncoarendi Therapeutics S.A. (PL) 2019-02-19 — — US disclosed
EP-3344616-B1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS ONCOARENDI THERAPEUTICS SA (PL) 2019-01-09 — — EP disclosed
US-20180258071-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS GALAPAGOS NV (BE) 2018-09-13 — — US disclosed
EP-3344616-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS ONCOARENDI THERAPEUTICS S.A. (PL) 2018-07-11 — — EP 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
WO-2017037670-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS OncoArendi Therapeutics Sp. z o.o. (PL) 2017-03-09 — — WO 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 (5 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-20190345137-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS CHIA, CHIT1, AADAC CHIT1 2/4885CHIA 1/4885GRIN2B 1310/4885
US-20230278996-A1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS CHI3L1, CHI3L2, CHIA CHIT1 4/4885CHIA 3/4885GRIN2B 4405/4885
US-10208020-B2 Substituted amino triazoles useful as human chitinase inhibitors CHIA, CHIT1, AADAC CHIT1 2/4885CHIA 1/4885GRIN2B 1310/4885
US-20170066743-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS CHIA, CHIT1, AADAC CHIT1 2/4885CHIA 1/4885GRIN2B 1310/4885
US-20180258071-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS CHIA, CHIT1, AADAC CHIT1 2/4885CHIA 1/4885GRIN2B 1310/4885

“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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