Sugi Predict

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SCHEMBL3555407

SCHEMBL3555407

COC(=O)c1ccc(N2CCN(c3cccc(C(C)(C)C)c3)C2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSG P08311 2/20 0.44
▸ CMA1 P23946 2/20 0.44
▸ F10 P00742 2/20 0.43
▸ F2 P00734 1/20 0.43
▸ PRSS1 P07477 1/20 0.43
▸ EGFR P00533 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ PRMT1 Q99873 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ LPAR5 Q9H1C0 1/20 0.39
▸ KIF11 P52732 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ CACNA2D1 P54289 1/20 0.39

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
SCHEMBL3561479 0.89 DRD2 (0.48) MAPTHSD17B10NPC1HDAC1MEN1
SCHEMBL3552039 0.87 CA1 (0.50) CTSGCMA1EGFRALDH1A1MAPT
SCHEMBL14423582 0.86 F10 (0.45) F10F2PRSS1HPGDNPC1
SCHEMBL13006962 0.84 ALDH1A1 (0.56) CTSGCMA1F10F2PRSS1
SCHEMBL3554080 0.82 CTSG (0.46) CTSGCMA1F10F2PRSS1
SCHEMBL3551549 0.82 CTSG (0.46) CTSGCMA1F10F2PRSS1
SCHEMBL14423199 0.82 CTSG (0.46) CTSGCMA1F10F2PRSS1
SCHEMBL3553207 0.79 RAB9A (0.42) F10F2PRSS1NPC1PRMT1
SCHEMBL3563201 0.77 MEN1 (0.44) F10F2PRSS1ALDH1A1NPC1
SCHEMBL3551948 0.77 KMO (0.43) CTSGCMA1F10F2PRSS1

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-20100317649-A1 S1P Receptor Modulating Compounds and Use Thereof EPIX PHARMACEUTICALS, INC. (US) 2010-12-16 — — US disclosed
US-20100317649-A1 S1P Receptor Modulating Compounds and Use Thereof EPIX PHARMACEUTICALS, INC. (US) 2010-12-16 — — US disclosed
US-7790707-B2 S1P receptor modulating compounds and use thereof EPIX PHARMACEUTICALS INC. (US) 2010-09-07 — — US disclosed
US-7790707-B2 S1P receptor modulating compounds and use thereof EPIX PHARMACEUTICALS INC. (US) 2010-09-07 — — US disclosed
EP-2010524-A2 S1P RECEPTOR MODULATING COMPOUNDS Epix Delaware, Inc. (US) 2009-01-07 — — EP disclosed
US-20080015177-A1 S1P receptor modulating compounds and use thereof AMGEN INC. 2008-01-17 — — US disclosed
US-20080015177-A1 S1P receptor modulating compounds and use thereof AMGEN INC. 2008-01-17 — — US disclosed
WO-2007109330-A2 S1P RECEPTOR MODULATING COMPOUNDS EPIX DELAWARE, INC. (US) 2007-09-27 — — 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-20080015177-A1 S1P receptor modulating compounds and use thereof S1PR1, S1PR2, S1PR5 CTSG 3184/4885CMA1 2629/4885F10 3929/4885
US-20100317649-A1 S1P Receptor Modulating Compounds and Use Thereof S1PR1, S1PR2, S1PR5 CTSG 3184/4885CMA1 2629/4885F10 3929/4885

“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.