SCHEMBL5002944

SCHEMBL5002944

O=C(O)NCCc1cn(S(=O)(=O)c2c(F)cccc2F)c(-c2cccnc2F)c1F

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HIF1A Q16665 4/20 0.33
IDE P14735 2/20 0.32
HTR6 P50406 1/20 0.32
KDM4E B2RXH2 1/20 0.31
DHODH Q02127 1/20 0.31
GRM4 Q14833 1/20 0.31
CYP2C9 P11712 1/20 0.31
NAMPT P43490 1/20 0.31
SLC40A1 Q9NP59 1/20 0.30
KEAP1 Q14145 1/20 0.30
LMNA P02545 1/20 0.30
THRB P10828 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL2193985 0.86 DCTPP1 (0.35) NPC1RAB9AMEN1KMT2AIDE
SCHEMBL2407109 0.86 IDE (0.34) NPC1RAB9AMEN1KMT2AHIF1A
SCHEMBL5008446 0.86 MEN1 (0.33) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL5008220 0.86 IDE (0.40) MEN1KMT2AIDEHTR6NAMPT
SCHEMBL2409480 0.86 IDE (0.35) IDEHTR6GRM4CYP2C9NAMPT
SCHEMBL2195613 0.86 CYP2C9 (0.32) NPC1RAB9AMEN1KMT2AIDE
SCHEMBL5002717 0.86 IDE (0.34) IDEGRM4CYP2C9NAMPT
SCHEMBL5002574 0.85 SLC40A1 (0.33) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL5006232 0.85 DCTPP1 (0.35) NPC1RAB9AMEN1KMT2AHIF1A
SCHEMBL2413187 0.85 ALDH1A1 (0.40) IDEHTR6KDM4ECYP2C9NAMPT

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 NPC1 219/4885RAB9A 443/4885MEN1 413/4885

“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.