SCHEMBL17838841

SCHEMBL17838841

NS(=O)(=O)c1ccc(CN(CCc2ccc(Br)cc2)C2CCN(C(=O)O)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 1/20 0.46
CA12 O43570 17/20 0.45
CA1 P00915 17/20 0.45
CA2 P00918 17/20 0.45
CA9 Q16790 15/20 0.45
CA4 P22748 15/20 0.45
CA7 P43166 10/20 0.45
CA14 Q9ULX7 10/20 0.45
CA5A P35218 9/20 0.45
CA13 Q8N1Q1 9/20 0.45
RAB9A P51151 1/20 0.42

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
SCHEMBL17838827 0.86 KMT2A (0.47) MEN1KMT2AALDH1A1RAB9A
SCHEMBL17838887 0.86 GPR119 (0.54) MEN1KMT2ACA12CA1CA2
SCHEMBL17853443 0.81 CA2 (0.44) CA12CA1CA2CA9CA4
Hydrochloric Acid SCHEMBL17838889 0.81 CA2 (0.43) CA12CA1CA2CA9CA4
SCHEMBL28426546 0.79 CCR5 (0.44) CA12CA1CA2CA9CA4
SCHEMBL17838888 0.77 CHIT1 (0.51)
SCHEMBL17838879 0.74 STS (0.48) MEN1KMT2A
SCHEMBL29101926 0.72 LTA4H (0.47) MEN1KMT2AALDH1A1
SCHEMBL17838870 0.71 MEN1 (0.46) MEN1KMT2AALDH1A1RAB9A
SCHEMBL27200509 0.71 CA2 (0.70) MEN1KMT2AALDH1A1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107428720-B Substituted aminotriazoles as inhibitors of acid mammalian chitinase 昂科艾伦迪治疗法股份公司 2020-06-30 CN disclosed
EP-3233832-B1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS ACIDIC MAMMALIAN CHITINASE INHIBITORS ONCOARENDI THERAPEUTICS SA (PL) 2019-11-20 EP disclosed
EP-3233832-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS ACIDIC MAMMALIAN CHITINASE INHIBITORS ONCOARENDI THERAPEUTICS S.A. (PL) 2017-10-25 EP disclosed
US-20160368894-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS ACIDIC MAMMALIAN CHITINASE INHIBITORS OncoArendi Therapeutics Sp. z o.o. (PL) 2016-12-22 US disclosed
US-9440953-B2 Substituted amino triazoles useful as acidic mammalian chitinase inhibitors OncoArendi Therapeutics Sp. z o.o. (PL) 2016-09-13 US disclosed
US-20160176843-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS ACIDIC MAMMALIAN CHITINASE INHIBITORS OncoArendi Therapeutics Sp. z o.o. (PL) 2016-06-23 US disclosed
WO-2016099311-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS ACIDIC MAMMALIAN CHITINASE INHIBITORS OncoArendi Therapeutics Sp. z o.o. (PL) 2016-06-23 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 (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-20160176843-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS ACIDIC MAMMALIAN CHITINASE INHIBITORS CHIA, CHIT1, CMA1 MEN1 3425/4885KMT2A 4066/4885ALDH1A1 2011/4885
US-20160368894-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS ACIDIC MAMMALIAN CHITINASE INHIBITORS CHIA, CHIT1, CMA1 MEN1 3425/4885KMT2A 4066/4885ALDH1A1 2011/4885

“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.