SCHEMBL18577288

SCHEMBL18577288

NC[C@H](Cc1ccc(Cl)cc1)NC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.49
SLC6A4 P31645 1/20 0.44
PPARG P37231 2/20 0.44
PPARA Q07869 2/20 0.44
PSMB8 P28062 1/20 0.43
PSMB5 P28074 1/20 0.43
ACE P12821 1/20 0.43
CA2 P00918 1/20 0.43
ROCK2 O75116 1/20 0.43
PRKACA P17612 1/20 0.43
RPS6KB1 P23443 1/20 0.43
IRAK1 P51617 1/20 0.43
PRKX P51817 1/20 0.43
LIMK1 P53667 1/20 0.43
PRKG2 Q13237 1/20 0.43
ROCK1 Q13464 1/20 0.43
PRKG1 Q13976 1/20 0.43
PKN2 Q16513 1/20 0.43
HIPK4 Q8NE63 1/20 0.43
AURKB Q96GD4 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
SCHEMBL18577290 1.00 MME (0.49) MMESLC6A4PPARGPPARAPSMB8
SCHEMBL20791698 0.85 OPRK1 (0.55)
SCHEMBL18577188 0.85 ROCK2 (0.57) MMEPPARGPPARAPSMB8PSMB5
SCHEMBL20791696 0.85 OPRK1 (0.55)
SCHEMBL18577189 0.85 ROCK2 (0.57) MMEPPARGPPARAPSMB8PSMB5
SCHEMBL2552762 0.84 CTRB1 (0.50) MMECYP3A4CYP1A2CTSC
SCHEMBL3730596 0.84 CTRB1 (0.50) MMECYP3A4CYP1A2CTSC
SCHEMBL14320632 0.84 CTRB1 (0.50) MMECYP3A4CYP1A2CTSC
Hydrochloric Acid SCHEMBL9732826 0.83 MME (0.49) MMECYP3A4CYP1A2CTSC
SCHEMBL23357248 0.82 PLA2G10 (0.46) ROCK2RPS6KB1ROCK1CYP2C19CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (4 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 MME 1064/4885SLC6A4 3515/4885PPARG 3255/4885
US-10208020-B2 Substituted amino triazoles useful as human chitinase inhibitors CHIA, CHIT1, AADAC MME 1064/4885SLC6A4 3515/4885PPARG 3255/4885
US-20170066743-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS CHIA, CHIT1, AADAC MME 1064/4885SLC6A4 3515/4885PPARG 3255/4885
US-20180258071-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS CHIA, CHIT1, AADAC MME 1064/4885SLC6A4 3515/4885PPARG 3255/4885

“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.