SCHEMBL26439343

SCHEMBL26439343

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.40
▸ NR1H2 P55055 4/20 0.38
▸ NR1H3 Q13133 4/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ RORC P51449 2/20 0.37
▸ FPR2 P25090 2/20 0.35
▸ FPR3 P25089 1/20 0.35
▸ KLK7 P49862 1/20 0.34
▸ CCR3 P51677 1/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ USP30 Q70CQ3 2/20 0.34
▸ GPR119 Q8TDV5 2/20 0.34
▸ PTPN1 P18031 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34

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
SCHEMBL18609870 0.90 P2RX3 (0.41) KMT2ANR1H2NR1H3ALDH1A1HTT
SCHEMBL18607756 0.90 P2RX3 (0.41) KMT2ANR1H2NR1H3ALDH1A1HTT
SCHEMBL18607754 0.90 P2RX3 (0.41) KMT2ANR1H2NR1H3ALDH1A1HTT
SCHEMBL18589472 0.90 P2RX3 (0.41) KMT2ANR1H2NR1H3ALDH1A1HTT
SCHEMBL26439338 0.89 KMT2A (0.41) KMT2ANR1H2NR1H3SMN1; SMN2RORC
SCHEMBL22903811 0.83 NR1H2 (0.38) KMT2ANR1H2NR1H3RORCFPR2
SCHEMBL22903606 0.83 NR1H2 (0.38) KMT2ANR1H2NR1H3RORCFPR2
SCHEMBL26439349 0.83 NR1H2 (0.39) KMT2ANR1H2NR1H3RORCFPR2
SCHEMBL22903580 0.82 NR1H2 (0.37) KMT2ANR1H2NR1H3RORCFPR2
SCHEMBL22903589 0.82 NR1H2 (0.37) KMT2ANR1H2NR1H3RORCFPR2

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 KMT2A 2195/4885NR1H2 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.

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