SCHEMBL5003076

SCHEMBL5003076

CN(Cc1cn(S(=O)(=O)c2cnn(C(F)F)c2)c(-c2cccnc2F)c1F)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.34
FFAR4 Q5NUL3 2/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP13 P45452 1/20 0.31
ITGB1 P05556 1/20 0.31
ITGA2 P17301 1/20 0.31

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
SCHEMBL5002600 0.89 SLC6A9 (0.37) ITGB1ITGA2
SCHEMBL2409149 0.88 BRD4 (0.32) BRD4MMP2MMP9MMP8MMP13
SCHEMBL2415005 0.88 JAK3 (0.36) ITGB1ITGA2
SCHEMBL2409156 0.88 BRD4 (0.32) BRD4
SCHEMBL2413180 0.85 HTR6 (0.37)
SCHEMBL2194090 0.85 PTGDR2 (0.33) MMP2MMP9MMP8MMP13
SCHEMBL2409474 0.84 HTR6 (0.36) MMP2MMP9MMP8MMP13
SCHEMBL1580570 0.84 BRD4 (0.37) BRD4
SCHEMBL5003079 0.83 BRD4 (0.33) BRD4
SCHEMBL2196044 0.83 NAMPT (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114917-B1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2016-08-10 EP disclosed
US-8933105-B2 Pyrrole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-01-13 US disclosed
US-20080262042-A1 1-[5-(2-Fluoropyridin-3-yl)-1-(phenylsulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamine or a salt thereof; acid secretion inhibitor; potassium-competitive acid blocker TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-23 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 (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-20080262042-A1 1-[5-(2-Fluoropyridin-3-yl)-1-(phenylsulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamine or a salt thereof; acid secretion inhibitor; potassium-competitive acid blocker REN, HRH2, ATP4A BRD4 882/4885FFAR4 395/4885MMP2 1804/4885

“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.