SCHEMBL414125

SCHEMBL414125

O=S1(=O)Nc2c(ccc3cccnc23)-c2cc(C(F)(F)F)ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 18/20 1.00
NFKBIA P25963 7/20 1.00
RELA Q04206 7/20 1.00
MMP2 P08253 1/20 0.66
KDM4E B2RXH2 1/20 0.66
MEN1 O00255 1/20 0.66
ALDH1A1 P00352 1/20 0.66
LMNA P02545 1/20 0.66
MAPT P10636 1/20 0.66
ALOX15 P16050 1/20 0.66
TSHR P16473 1/20 0.66
OPRK1 P41145 1/20 0.66
HTT P42858 1/20 0.66
KMT2A Q03164 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
NPSR1 Q6W5P4 1/20 0.66
HSD17B10 Q99714 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66

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
SCHEMBL11973718 0.92 SLC40A1 (1.00) SLC40A1NFKBIARELAKDM4EMEN1
SCHEMBL11972977 0.84 SLC40A1 (1.00) SLC40A1NFKBIARELAKDM4EMEN1
SCHEMBL11973803 0.83 SLC40A1 (1.00) SLC40A1NFKBIARELAKDM4EMEN1
SCHEMBL416275 0.82 NFKBIA (1.00) SLC40A1NFKBIARELAMMP2
SCHEMBL11973219 0.82 SLC40A1 (1.00) SLC40A1NFKBIARELAKDM4EMEN1
SCHEMBL11973725 0.82 SLC40A1 (1.00) SLC40A1NFKBIARELAKDM4EMEN1
SCHEMBL11973254 0.82 SLC40A1 (1.00) SLC40A1NFKBIARELA
SCHEMBL11997089 0.81 SLC40A1 (0.78) SLC40A1NFKBIARELA
SCHEMBL11997179 0.81 SLC40A1 (0.78) SLC40A1NFKBIARELAMMP2
SCHEMBL11972902 0.81 SLC40A1 (1.00) SLC40A1NFKBIARELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2675526-B1 NOVEL SULFONAMINOQUINOLINE HEPCIDIN ANTAGONISTS VIFOR (INTERNATIONAL) AG (CH) 2017-02-01 EP disclosed
EP-2675526-B1 NOVEL SULFONAMINOQUINOLINE HEPCIDIN ANTAGONISTS VIFOR (INTERNATIONAL) AG (CH) 2017-02-01 EP disclosed
US-9102688-B2 Sulfonaminoquinoline hepcidin antagonists VIFOR (INTERNATIONAL) AG (CH) 2015-08-11 US disclosed
US-9102688-B2 Sulfonaminoquinoline hepcidin antagonists VIFOR (INTERNATIONAL) AG (CH) 2015-08-11 US disclosed
US-9102688-B2 Sulfonaminoquinoline hepcidin antagonists VIFOR (INTERNATIONAL) AG (CH) 2015-08-11 US disclosed
US-20140364424-A1 Novel Sulfonaminoquinoline Hepcidin Antagonists VIFOR (INTERNATIONAL) AG (CH) 2014-12-11 US disclosed
US-20140364424-A1 Novel Sulfonaminoquinoline Hepcidin Antagonists VIFOR (INTERNATIONAL) AG (CH) 2014-12-11 US disclosed
US-20140364424-A1 Novel Sulfonaminoquinoline Hepcidin Antagonists VIFOR (INTERNATIONAL) AG (CH) 2014-12-11 US disclosed
US-20140275165-A1 COMPOUNDS THAT INHIBIT NFkB AND BACE1 ACTIVITY THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-09-18 US disclosed
US-20140275165-A1 COMPOUNDS THAT INHIBIT NFkB AND BACE1 ACTIVITY THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-09-18 US disclosed
US-20120214803-A1 Novel Sulfonaminoquinoline Hepcidin Antagonists VIFOR (INTERNATIONAL) AG (CH) 2012-08-23 US disclosed
US-20120214803-A1 Novel Sulfonaminoquinoline Hepcidin Antagonists VIFOR (INTERNATIONAL) AG (CH) 2012-08-23 US disclosed
US-20120214803-A1 Novel Sulfonaminoquinoline Hepcidin Antagonists VIFOR (INTERNATIONAL) AG (CH) 2012-08-23 US disclosed
US-20120064099-A1 COMPOUNDS THAT INHIBIT NFKB AND BACE1 ACTIVITY THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2012-03-15 US disclosed
US-20120064099-A1 COMPOUNDS THAT INHIBIT NFKB AND BACE1 ACTIVITY THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2012-03-15 US 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-20120214803-A1 Novel Sulfonaminoquinoline Hepcidin Antagonists HAMP, SLC40A1, FTH1 SLC40A1 2/4885NFKBIA 277/4885RELA 1102/4885
US-20140275165-A1 COMPOUNDS THAT INHIBIT NFkB AND BACE1 ACTIVITY NFKBIA, BACE1, BACE2 SLC40A1 3410/4885NFKBIA 1/4885RELA 10/4885
US-20120064099-A1 COMPOUNDS THAT INHIBIT NFKB AND BACE1 ACTIVITY NFKBIA, BACE1, BACE2 SLC40A1 3410/4885NFKBIA 1/4885RELA 10/4885
US-20140364424-A1 Novel Sulfonaminoquinoline Hepcidin Antagonists HAMP, SLC40A1, FTH1 SLC40A1 2/4885NFKBIA 277/4885RELA 1102/4885

“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.