SCHEMBL19249472

SCHEMBL19249472

COc1nc2c(Cc3ccc(S(=O)(=O)N(C)C)cc3)c(C)[nH]c2cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 3/20 0.45
▸ PTGS2 P35354 3/20 0.45
▸ RORC P51449 1/20 0.36
▸ PTPN5 P54829 1/20 0.35
▸ ALDH1A1 P00352 5/20 0.34
▸ AXL P30530 1/20 0.34
▸ MERTK Q12866 1/20 0.34
▸ LMNA P02545 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ MMP1 P03956 1/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ MMP13 P45452 1/20 0.34
▸ ADAM17 P78536 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HTT P42858 2/20 0.33
▸ GAA P10253 1/20 0.33

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
SCHEMBL19249657 0.78 PTGS1 (0.45) PTGS1PTGS2ALDH1A1LMNAKDM4E
SCHEMBL19249403 0.76 PTGS1 (0.38) PTGS1PTGS2PTPN5ALDH1A1LMNA
SCHEMBL19249384 0.76 PTGS2 (0.48) PTGS1PTGS2ALDH1A1LMNAMAPT
SCHEMBL29595303 0.71 MAPT (0.52) PTGS1PTGS2ALDH1A1KDM4EHPGD
SCHEMBL19249695 0.71 MAPT (0.52) PTGS1PTGS2ALDH1A1KDM4EHPGD
SCHEMBL19212556 0.70 PTGS2 (0.46) PTGS1PTGS2PTPN5ALDH1A1LMNA
SCHEMBL19249951 0.69 PTPN5 (0.56) PTGS1PTGS2PTPN5ALDH1A1LMNA
SCHEMBL29595705 0.69 PTPN5 (0.56) PTGS1PTGS2PTPN5ALDH1A1LMNA
SCHEMBL20489234 0.69 LMNA (0.56) ALDH1A1LMNAKDM4EHTTMEN1
SCHEMBL4909701 0.67 PTGS2 (0.50) PTGS1PTGS2PTPN5

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
US-10717734-B2 Indole and azaindole haloallylamine derivative inhibitors of lysyl oxidases and uses thereof PHARMAXIS LTD. (AU) 2020-07-21 — — US disclosed
US-10717734-B2 Indole and azaindole haloallylamine derivative inhibitors of lysyl oxidases and uses thereof PHARMAXIS LTD. (AU) 2020-07-21 — — US disclosed
US-20190119269-A1 INDOLE AND AZAINDOLE HALOALLYLAMINE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2019-04-25 — — US disclosed
US-20190119269-A1 INDOLE AND AZAINDOLE HALOALLYLAMINE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2019-04-25 — — US disclosed
WO-2017136871-A9 INDOLE AND AZAINDOLE HALOALLYLAMINE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2018-02-15 — — WO disclosed
WO-2017136871-A1 INDOLE AND AZAINDOLE HALOALLYLAMINE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2017-08-17 — — 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-10717734-B2 Indole and azaindole haloallylamine derivative inhibitors of lysyl oxidases and uses thereof IDO1, IDO2, INMT PTGS1 793/4885PTGS2 776/4885RORC 4297/4885
US-20190119269-A1 INDOLE AND AZAINDOLE HALOALLYLAMINE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF IDO1, IDO2, INMT PTGS1 793/4885PTGS2 776/4885RORC 4297/4885

“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.

Send feedback