SCHEMBL17838827

SCHEMBL17838827

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.47
MEN1 O00255 5/20 0.47
ALDH1A1 P00352 5/20 0.43
PPARG P37231 2/20 0.41
RAB9A P51151 1/20 0.41
EGFR P00533 4/20 0.40
ERBB2 P04626 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CHIT1 Q13231 1/20 0.37
CHIA Q9BZP6 1/20 0.37
IDO1 P14902 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM3 P20309 1/20 0.37

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
SCHEMBL17838879 0.87 STS (0.48) KMT2AMEN1
SCHEMBL17838841 0.86 MEN1 (0.48) KMT2AMEN1ALDH1A1RAB9A
SCHEMBL17853346 0.85 PPARG (0.43) ALDH1A1PPARGEGFRERBB2L3MBTL1
Hydrochloric Acid SCHEMBL17838856 0.84 PPARG (0.43) ALDH1A1PPARGEGFRERBB2L3MBTL1
SCHEMBL17838868 0.80 CHIT1 (0.48) CHIT1CHIA
SCHEMBL17838887 0.75 GPR119 (0.54) KMT2AMEN1
SCHEMBL17838840 0.74 KCNH2 (0.51) KMT2AMEN1CHIT1CHIA
SCHEMBL17838870 0.74 MEN1 (0.46) KMT2AMEN1ALDH1A1RAB9ACHIT1
SCHEMBL17847356 0.73 CHIT1 (0.38) KMT2AMEN1ALDH1A1RAB9AMAPT
SCHEMBL17838884 0.73 CHIT1 (0.47) CHIT1CHIA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KMT2A 4066/4885MEN1 3425/4885ALDH1A1 2011/4885
US-20160368894-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS ACIDIC MAMMALIAN CHITINASE INHIBITORS CHIA, CHIT1, CMA1 KMT2A 4066/4885MEN1 3425/4885ALDH1A1 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.