SCHEMBL20489151

SCHEMBL20489151

CC(C)S(=O)(=O)c1ccc(CO)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
TRPV1 Q8NER1 2/20 0.37
TRPV4 Q9HBA0 2/20 0.37
PTGES2 Q9H7Z7 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
S1PR1 P21453 3/20 0.36
ALK Q9UM73 2/20 0.35
PNMT P11086 1/20 0.35
MAPT P10636 2/20 0.34
LMNA P02545 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
SCHEMBL6196958 0.81 ADRA1D (0.47) PTGES2NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL1806556 0.79 PTGES2 (0.40) TRPV4PTGES2NPC1RAB9ASMN1; SMN2
SCHEMBL1804856 0.77 PTGES2 (0.51) PTGES2CA12CA1CA2CA4
SCHEMBL13797489 0.77 TRPV4 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3231192 0.77 GSTO1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5757459 0.74 ADRA1D (0.43) PTGES2NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL13797487 0.74 AKR1B1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2413486 0.74 HSD11B1 (0.44) TRPV4MAPTLMNAMAPK1NPSR1
SCHEMBL21773462 0.71 ALDH1A1 (0.50) TRPV4RAB9AKDM4EMAPTLMNA
SCHEMBL5760478 0.71 ADRA1D (0.40) PTGES2NPC1RAB9ASMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200069648-A1 HALOALLYLAMINE PYRAZOLE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2020-03-05 US disclosed
US-20200069648-A1 HALOALLYLAMINE PYRAZOLE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2020-03-05 US disclosed
CN-110709385-A Haloallylamine pyrazole derivative inhibitors of lysyl oxidase and uses thereof 法玛西斯有限公司 2020-01-17 CN disclosed
WO-2018157190-A9 HALOALLYLAMINE PYRAZOLE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2018-10-25 WO disclosed
WO-2018157190-A1 HALOALLYLAMINE PYRAZOLE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2018-09-07 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 (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-20200069648-A1 HALOALLYLAMINE PYRAZOLE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF LOX, DAO, AADAC PSEN1 4442/4885PSEN2 4658/4885APH1B 3611/4885

“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.