SCHEMBL1221649

SCHEMBL1221649

CCOc1cc(-c2cc(CCl)on2)ccc1OC(F)F

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 15/20 0.46
▸ HSD17B10 Q99714 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ S1PR3 Q99500 6/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ DRD4 P21917 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ LMNA P02545 1/20 0.40

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
SCHEMBL1221236 0.90 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL1221719 0.88 SMN1; SMN2 (0.50) S1PR1HSD17B10KDM4ESMN1; SMN2NPC1
SCHEMBL1219843 0.77 RAB9A (0.47) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL541998 0.75 MAPT (0.56) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL9185101 0.74 PDE4D (0.43) S1PR1HSD17B10KDM4ESMN1; SMN2RAB9A
SCHEMBL31128557 0.72 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL9260235 0.72 PDE4D (0.43) S1PR1HSD17B10KDM4ESMN1; SMN2NPC1
SCHEMBL1220996 0.70 DRD2 (0.35) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL9181864 0.69 PDE4D (0.43) S1PR1HSD17B10KDM4ESMN1; SMN2NPC1
SCHEMBL1221654 0.69 L3MBTL1 (0.48) SMN1; SMN2NPC1RAB9AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110044943-A1 Anti-Viral Compounds, Compositions, And Methods Of Use GLAXOSMITHKLINE LLC 2011-02-24 — — US disclosed
WO-2010081145-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GLAXOSMITHKLINE LLC (US) 2010-07-15 — — WO disclosed
EP-2178877-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GlaxoSmithKline LLC (US) 2010-04-28 — — EP disclosed
US-20100029655-A1 Processes For The Preparation Of Anti-Viral Compounds And Compositions Containing Them LEIVERS MARTIN ROBERT 2010-02-04 — — US disclosed
WO-2010006096-A1 PROCESSES FOR THE PREPARATION OF ANTI-VIRAL COMPOUNDS AND COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM CORPORATION (US) 2010-01-14 — — WO disclosed
US-20090197880-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GENELABS TECHNOLOGIES, INC. 2009-08-06 — — US disclosed
US-20090074717-A1 Anti-viral compounds, compositions, and methods of use GLAXOSMITHKLINE LLC 2009-03-19 — — US disclosed
WO-2009011787-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GENELABS TECHNOLOGIES, INC. (US) 2009-01-22 — — 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 (4 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-20090074717-A1 Anti-viral compounds, compositions, and methods of use HAVCR2, SARS1, RPL35 S1PR1 3054/4885HSD17B10 2844/4885KDM4E 3172/4885
US-20110044943-A1 Anti-Viral Compounds, Compositions, And Methods Of Use HAVCR2, SARS1, RPL35 S1PR1 3054/4885HSD17B10 2844/4885KDM4E 3172/4885
US-20090197880-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE HAVCR2, SARS1, RPL35 S1PR1 3054/4885HSD17B10 2844/4885KDM4E 3172/4885
US-20100029655-A1 Processes For The Preparation Of Anti-Viral Compounds And Compositions Containing Them RPL35, HAVCR2, RPL5 S1PR1 4081/4885HSD17B10 3476/4885KDM4E 2668/4885

“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.

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