SCHEMBL4313331

SCHEMBL4313331

[O]c1cccc(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 10/20 0.59
AGXT P21549 1/20 0.51
DHODH Q02127 1/20 0.49
KDM1A O60341 1/20 0.46
BACE1 P56817 1/20 0.46
GLO1 Q04760 1/20 0.44
PTPN1 P18031 1/20 0.44
MAOB P27338 1/20 0.44
MGLL Q99685 1/20 0.43
PTGES2 Q9H7Z7 1/20 0.43

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
SCHEMBL26821713 0.85 KIF11 (0.73) KIF11AGXTDHODHKDM1ABACE1
SCHEMBL16068255 0.81 KIF11 (0.67) KIF11AGXTDHODHKDM1APTPN1
SCHEMBL11898508 0.80 HSD17B1 (0.43) MGLL
SCHEMBL9937753 0.78 MAOA (0.48) MGLL
SCHEMBL28128350 0.78 PTPN1 (0.62) KIF11AGXTDHODHPTPN1MAOB
SCHEMBL66448 0.76 TSHR (0.54) MGLL
SCHEMBL23748371 0.76 KIF11 (0.59) KIF11AGXTDHODHPTPN1MAOB
SCHEMBL4488129 0.76 KIF11 (0.59) KIF11AGXTDHODHKDM1ABACE1
SCHEMBL631923 0.76 KIF11 (0.63) KIF11AGXTDHODHKDM1AMAOB
SCHEMBL5050189 0.76 KIF11 (0.59) KIF11AGXTDHODHKDM1ABACE1

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
US-7906518-B2 [(3aR,4R,6R,6aR)-6-(6-amino-2-methoxy-9H-purin-9yl)tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methanol; improved oral absorption CBT DEVELOPMENT LIMITED (GB) 2011-03-15 US disclosed
EP-2066685-A2 NOVEL 2',3'-METHYLIDENE ACETYL ADENOSINE PRODRUGS FOR USE AS PRODRUGS FOR ADENOSINE RECEPTOR AGONISTS BIOVITRUM AB (publ) (SE) 2009-06-10 EP disclosed
US-20080027081-A1 Therapeutic compounds BIOVITRUM AB (PUBL) 2008-01-31 US disclosed
WO-2008000743-A2 NOVEL 2',3'-METHYLIDENE ACETYL ADENOSINE PRODRUGS FOR USE AS PRODRUGS FOR ADENOSINE RECEPTOR AGONISTS BIOVITRUM AB (PUBL) (SE) 2008-01-03 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-20080027081-A1 Therapeutic compounds ADORA2A, ADORA3, ADORA2B KIF11 4819/4885AGXT 2870/4885DHODH 403/4885

“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.