SCHEMBL2415005

SCHEMBL2415005

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

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 0.36
KMT2A Q03164 1/20 0.35
BACE1 P56817 4/20 0.34
BACE2 Q9Y5Z0 4/20 0.34
CTSD P07339 3/20 0.34
NAMPT P43490 3/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
KAT6A Q92794 1/20 0.31
KAT5 Q92993 1/20 0.31
LMNA P02545 2/20 0.31
ITGB1 P05556 1/20 0.31
ITGA2 P17301 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 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) NAMPTITGB1ITGA2
SCHEMBL2417223 0.88 JAK3 (0.35) JAK3KMT2ABACE1BACE2CTSD
SCHEMBL5003076 0.88 BRD4 (0.34) ITGB1ITGA2
SCHEMBL2417225 0.88 JAK3 (0.34) JAK3KMT2ABACE1BACE2CTSD
SCHEMBL2413180 0.85 HTR6 (0.37) NAMPTALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL2194090 0.85 PTGDR2 (0.33) NAMPTSMN1; SMN2
SCHEMBL2415010 0.84 JAK3 (0.36) JAK3KMT2ABACE1BACE2CTSD
SCHEMBL2409474 0.84 HTR6 (0.36) PKM
SCHEMBL1580770 0.84 BACE1 (0.38) JAK3KMT2ABACE1BACE2CTSD
Hydrochloric Acid SCHEMBL4417901 0.83 JAK3 (0.35) JAK3BACE1BACE2CTSDKAT6A

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 1066/4885BACE1 2298/4885

“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.