SCHEMBL14005153

SCHEMBL14005153

O=S(=O)(NNc1ccc(CNc2nccc(C(F)(F)F)n2)cc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.61
MAPT P10636 2/20 0.50
GAA P10253 1/20 0.50
SYK P43405 10/20 0.45
IDO1 P14902 1/20 0.44
ALDH1A1 P00352 1/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
TAS2R14 Q9NYV8 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TP53 P04637 1/20 0.41
ADORA2A P29274 1/20 0.41

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
SCHEMBL14005227 0.96 PKM (0.58) PKMMAPTGAASYKALDH1A1
SCHEMBL14025450 0.83 PKM (0.69) PKMMAPTGAASYKALDH1A1
SCHEMBL13879819 0.79 PKM (0.52) PKMMAPTSYKALDH1A1TP53
SCHEMBL14025742 0.76 NAMPT (0.52) PKMMAPTSYKTP53
SCHEMBL14025812 0.71 PKM (0.47) PKMSYKALDH1A1TAS2R14
SCHEMBL13879795 0.71 KDM4E (0.50) PKMMAPTALDH1A1TP53ADORA2A
SCHEMBL7123611 0.67 IDO1 (0.75) PKMMAPTGAAIDO1ALDH1A1
SCHEMBL4896716 0.67 HDAC3 (0.49) PKMGAASYKTAS2R14
SCHEMBL2700846 0.66 SYK (0.76) MAPTSYKTAS2R14
SCHEMBL8788065 0.66 PKM (0.55) PKMGAASYKTAS2R14

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 1645/4885MAPT 4253/4885GAA 4547/4885

“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.