SCHEMBL868948

SCHEMBL868948

Cc1cccc(CC(=O)OC(=O)C(F)(F)F)n1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
KMT2A Q03164 1/20 0.46
GAA P10253 2/20 0.40
MAPK1 P28482 1/20 0.39
P2RX7 Q99572 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
ADORA2A P29274 1/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GRM5 P41594 1/20 0.33

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
SCHEMBL10381880 0.78 MEN1 (0.52) MEN1OPRM1OPRD1KMT2AGAA
SCHEMBL2374158 0.77 KMT2A (0.46) MEN1OPRM1OPRD1KMT2AMAPK1
Trifluoroacetic Acid SCHEMBL868947 0.77 KMT2A (0.49) MEN1OPRM1OPRD1KMT2AGAA
SCHEMBL1135252 0.76 ALDH1A1 (0.48) MEN1OPRM1OPRD1KMT2APOLB
SCHEMBL6900384 0.72 P2RX7 (0.46) MEN1OPRM1OPRD1KMT2AP2RX7
SCHEMBL29684288 0.72 KMT2A (0.53) MEN1OPRM1OPRD1KMT2AGAA
SCHEMBL869497 0.72 KMT2A (0.53) MEN1OPRM1OPRD1KMT2AGAA
SCHEMBL6510299 0.71 P2RX7 (0.49) MEN1OPRM1OPRD1KMT2AP2RX7
SCHEMBL29351319 0.71 P2RX7 (0.49) MEN1OPRM1OPRD1KMT2AP2RX7
SCHEMBL2827714 0.70 P2RX7 (0.57) MEN1OPRM1OPRD1KMT2AGAA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2549868-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-01-07 EP disclosed
US-8598156-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2013-12-03 US disclosed
EP-2549868-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2013-01-30 EP disclosed
US-20130018038-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2013-01-17 US disclosed
US-20120077828-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2012-03-29 US disclosed
WO-2011119663-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-09-29 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 (2 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-20130018038-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R MEN1 1863/4885OPRM1 1169/4885OPRD1 901/4885
US-20120077828-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R MEN1 1863/4885OPRM1 1169/4885OPRD1 901/4885

“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.