SCHEMBL416275

SCHEMBL416275

Cc1ccc2ccc3c(c2n1)NS(=O)(=O)c1ccc(C(F)(F)F)cc1-3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NFKBIA P25963 8/20 1.00
RELA Q04206 8/20 1.00
MMP2 P08253 1/20 0.71
SLC40A1 Q9NP59 15/20 0.70

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
SCHEMBL414125 0.82 SLC40A1 (1.00) NFKBIARELAMMP2SLC40A1
SCHEMBL11972877 0.78 SLC40A1 (1.00) NFKBIARELASLC40A1
SCHEMBL12474970 0.76 SLC40A1 (0.63) NFKBIARELAMMP2SLC40A1
SCHEMBL11973718 0.74 SLC40A1 (1.00) NFKBIARELASLC40A1
SCHEMBL18434822 0.74 SLC40A1 (0.72) NFKBIARELAMMP2SLC40A1
SCHEMBL11973677 0.73 SLC40A1 (1.00) NFKBIARELAMMP2SLC40A1
SCHEMBL11997089 0.73 SLC40A1 (0.78) NFKBIARELASLC40A1
SCHEMBL11997112 0.72 SLC40A1 (0.77) NFKBIARELAMMP2SLC40A1
SCHEMBL12475945 0.71 SLC40A1 (0.64) NFKBIARELAMMP2SLC40A1
SCHEMBL11973254 0.69 SLC40A1 (1.00) NFKBIARELASLC40A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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-20140275165-A1 COMPOUNDS THAT INHIBIT NFkB AND BACE1 ACTIVITY NFKBIA, BACE1, BACE2 NFKBIA 1/4885RELA 10/4885MMP2 225/4885
US-20120064099-A1 COMPOUNDS THAT INHIBIT NFKB AND BACE1 ACTIVITY NFKBIA, BACE1, BACE2 NFKBIA 1/4885RELA 10/4885MMP2 225/4885

“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.