SCHEMBL2415010

SCHEMBL2415010

CCn1cc(S(=O)(=O)n2cc(CCNC(=O)O)c(F)c2-c2cccnc2F)cn1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 4/20 0.36
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NAMPT P43490 5/20 0.34
BACE1 P56817 4/20 0.34
BACE2 Q9Y5Z0 4/20 0.34
CTSD P07339 3/20 0.34
JAK2 O60674 2/20 0.33
JAK1 P23458 2/20 0.33
KAT6A Q92794 1/20 0.32
KAT5 Q92993 1/20 0.32

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
SCHEMBL5002602 0.90 SLC6A9 (0.39) NAMPT
SCHEMBL5003079 0.87 BRD4 (0.33)
SCHEMBL2194096 0.86 NAMPT (0.35) ALDH1A1NAMPT
SCHEMBL2413187 0.85 ALDH1A1 (0.40) ALDH1A1NAMPT
SCHEMBL2415005 0.84 JAK3 (0.36) JAK3KMT2AALDH1A1NAMPTBACE1
SCHEMBL1580770 0.84 BACE1 (0.38) JAK3KMT2AALDH1A1NAMPTBACE1
SCHEMBL2409480 0.84 IDE (0.35) ALDH1A1NAMPT
SCHEMBL2194523 0.84 NAMPT (0.34) ALDH1A1NAMPT
Hydrochloric Acid SCHEMBL2412886 0.83 BACE1 (0.38) JAK3KMT2AALDH1A1NAMPTBACE1
SCHEMBL2193985 0.83 DCTPP1 (0.35) KMT2AALDH1A1NAMPT

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
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
EP-2364979-A1 Pyrrole compounds Takeda Pharmaceutical Company Limited (JP) 2011-09-14 EP 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 JAK3 2857/4885KMT2A 1066/4885ALDH1A1 1650/4885

“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.