SCHEMBL18577142

SCHEMBL18577142

O=C(O)N1CC(O)[C@@H]1Cc1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
S1PR5 Q9H228 1/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
POLB P06746 1/20 0.38
DRD4 P21917 2/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
FAAH O00519 1/20 0.36
KDM4E B2RXH2 1/20 0.36
DRD2 P14416 1/20 0.36

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
SCHEMBL28879326 0.85 ABCB1 (0.43) GAA
SCHEMBL17542008 0.85 ABCB1 (0.43) GAA
SCHEMBL17542526 0.84 ALDH1A1 (0.37) ALDH1A1SIGMAR1POLBLMNAHPGD
SCHEMBL18577370 0.83 CHIT1 (0.41) TSHRS1PR5ALDH1A1GAALMNA
SCHEMBL17542043 0.81 SMN1; SMN2 (0.45) ALDH1A1GAASIGMAR1POLBLMNA
SCHEMBL28334503 0.81 SMN1; SMN2 (0.45) ALDH1A1GAASIGMAR1POLBLMNA
SCHEMBL18577441 0.80 KCNH2 (0.42) TSHRS1PR5ALDH1A1POLBDRD4
SCHEMBL1189227 0.79 FUCA1 (0.47) S1PR5GAA
SCHEMBL1189833 0.79 FUCA1 (0.47) S1PR5GAA
SCHEMBL18589453 0.79 VEGFA (0.42) ALDH1A1GAAHPGD

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 TSHR 1649/4885S1PR5 1476/4885ALDH1A1 1830/4885
US-10208020-B2 Substituted amino triazoles useful as human chitinase inhibitors CHIA, CHIT1, AADAC TSHR 1649/4885S1PR5 1476/4885ALDH1A1 1830/4885
US-20170066743-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS CHIA, CHIT1, AADAC TSHR 1649/4885S1PR5 1476/4885ALDH1A1 1830/4885
US-20180258071-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS CHIA, CHIT1, AADAC TSHR 1649/4885S1PR5 1476/4885ALDH1A1 1830/4885

“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.