SCHEMBL14005227

SCHEMBL14005227

O=S(=O)(NNc1ccccc1)c1ccc(CNc2nccc(C(F)(F)F)n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.58
GAA P10253 2/20 0.50
MAPT P10636 1/20 0.50
SYK P43405 14/20 0.45
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
ALOX12 P18054 1/20 0.44
CYP2C19 P33261 1/20 0.44
GFER P55789 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL14005153 0.96 PKM (0.61) PKMGAAMAPTSYKPTGS1
SCHEMBL14025450 0.85 PKM (0.69) PKMGAAMAPTSYKPTGS1
SCHEMBL13879819 0.79 PKM (0.52) PKMMAPTSYKKDM4EALDH1A1
SCHEMBL14025742 0.73 NAMPT (0.52) PKMMAPTSYKHPGD
SCHEMBL14025812 0.71 PKM (0.47) PKMSYKALDH1A1CYP1A2CYP3A4
SCHEMBL13879795 0.71 KDM4E (0.50) PKMMAPTKDM4EALDH1A1HPGD
SCHEMBL2700846 0.69 SYK (0.76) MAPTSYK
SCHEMBL7123611 0.67 IDO1 (0.75) PKMGAAMAPTKDM4EALDH1A1
SCHEMBL4896716 0.67 HDAC3 (0.49) PKMGAASYK
SCHEMBL8788065 0.66 PKM (0.55) PKMGAASYK

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
US-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 US disclosed
US-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 US disclosed
WO-2008112156-A1 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS (US) 2008-09-18 WO 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-20080293711-A1 Chemokine receptor modulators CCR5, CCL2, CXCR4 PKM 1645/4885GAA 4547/4885MAPT 4253/4885

“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.