Sugi Predict

Sugi Predict / Compounds / SCHEMBL8303064

SCHEMBL8303064

SCHEMBL8303064

CCc1ccc(OCCO)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 2/20 0.41
▸ S1PR3 Q99500 2/20 0.41
▸ S1PR2 O95136 1/20 0.41
▸ LPAR2 Q9HBW0 1/20 0.41
▸ ESR1 P03372 4/20 0.40
▸ FFAR4 Q5NUL3 2/20 0.40
▸ CD274 Q9NZQ7 1/20 0.40
▸ FFAR1 O14842 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ GAA P10253 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ IDO1 P14902 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ TRPA1 O75762 1/20 0.38
▸ ATM Q13315 1/20 0.38

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
SCHEMBL8133536 0.86 MEN1 (0.45) S1PR1S1PR3S1PR2LPAR2ESR1
SCHEMBL8303063 0.86 PKM (0.44) FFAR4FFAR1KDM4EPTGDR2GAA
SCHEMBL14900004 0.85 ALDH1A1 (0.49) S1PR1S1PR3S1PR2LPAR2ESR1
SCHEMBL17225921 0.85 FFAR4 (0.42) S1PR1S1PR3S1PR2LPAR2ESR1
SCHEMBL4684236 0.84 CSNK2A1 (0.49) S1PR1S1PR3S1PR2LPAR2ESR1
SCHEMBL8681886 0.82 MAPK1 (0.50) S1PR1S1PR3S1PR2LPAR2ESR1
SCHEMBL13634481 0.82 HTT (0.41) S1PR1S1PR3S1PR2LPAR2ESR1
SCHEMBL8681756 0.81 S1PR1 (0.39) S1PR1S1PR3S1PR2LPAR2ESR1
SCHEMBL10282410 0.81 ESR1 (0.46) ESR1FFAR4FFAR1KDM4EGAA
SCHEMBL18066896 0.81 CSNK2A1 (0.57) S1PR1S1PR3S1PR2LPAR2KMT2A

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
US-20170145011-A1 Pyrrolopyrazine-Spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMA (US) 2017-05-25 — — US disclosed
US-20160257681-A1 Protein Kinase C Inhibitors and Uses Thereof MIDCAP FINANCIAL TRUST 2016-09-08 — — US disclosed
EP-1951684-B1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN INC (US) 2016-07-13 — — EP disclosed
US-20090035313-A1 Compounds PFIZER INC. 2009-02-05 — — US disclosed
EP-1651641-B1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LTD (GB) 2007-05-23 — — EP disclosed
WO-2005009995-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2005-02-03 — — 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 (3 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-20170145011-A1 Pyrrolopyrazine-Spirocyclic piperidine amides as modulators of ion channels KCNJ2, KCNJ5, KCNJ1 S1PR1 661/4885S1PR3 431/4885S1PR2 400/4885
US-20090035313-A1 Compounds NQO1, NAMPT, NNT S1PR1 604/4885S1PR3 599/4885S1PR2 595/4885
US-20160257681-A1 Protein Kinase C Inhibitors and Uses Thereof PRKCH, PRKCA, PRKCB S1PR1 2191/4885S1PR3 2421/4885S1PR2 2175/4885

“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.