SCHEMBL3583786

SCHEMBL3583786

CCCC(CCCc1ccc(Sc2cccc(C(F)(F)F)c2)cc1Cl)(NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
IDH1 O75874 1/20 0.34
GAA P10253 2/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MRGPRX4 Q96LA9 3/20 0.34
MAPT P10636 2/20 0.33
S1PR1 P21453 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
ALDH1A1 P00352 3/20 0.33
PPARD Q03181 1/20 0.33
HPGD P15428 2/20 0.33
PTGES O14684 1/20 0.33
ALOX5 P09917 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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
SCHEMBL3583782 1.00 RXFP1 (0.35) RXFP1SIRT2IDH1GAAATM
SCHEMBL3303451 0.91 NPSR1 (0.35) RXFP1SIRT2IDH1GAAMRGPRX4
SCHEMBL15310375 0.91 NPSR1 (0.35) RXFP1SIRT2IDH1GAAMRGPRX4
SCHEMBL3581027 0.90 SIRT2 (0.33) RXFP1SIRT2GAAATML3MBTL1
SCHEMBL3581023 0.90 SIRT2 (0.33) RXFP1SIRT2GAAATML3MBTL1
SCHEMBL3303434 0.87 S1PR1 (0.35) RXFP1SIRT2IDH1GAAATM
SCHEMBL3303426 0.87 S1PR1 (0.35) RXFP1SIRT2IDH1GAAATM
SCHEMBL3299918 0.85 S1PR1 (0.37) RXFP1SIRT2IDH1ATML3MBTL1
SCHEMBL3302985 0.85 S1PR1 (0.37) RXFP1SIRT2IDH1ATML3MBTL1
SCHEMBL1562448 0.85 S1PR1 (0.37) RXFP1SIRT2IDH1GAAATM

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-8273748-B2 Amino alcohol derivative and immunosuppresive agent having same as an active ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2012-09-25 US disclosed
US-8232319-B2 Amino phosphate derivative and S1P receptor modulator having same as an active ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2012-07-31 US disclosed
US-20100010000-A1 AMINO ALCOHOL DERIVATIVE AND IMMUNOSUPPRESIVE AGENT HAVING SAME AS AN ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-01-14 US disclosed
US-20090325907-A1 AMINO PHOSPHATE DERIVATIVE AND S1P RECEPTOR MODULATOR HAVING SAME AS AN ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US 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-20090325907-A1 AMINO PHOSPHATE DERIVATIVE AND S1P RECEPTOR MODULATOR HAVING SAME AS AN ACTIVE INGREDIENT S1PR1, S1PR2, S1PR5 RXFP1 393/4885SIRT2 2716/4885IDH1 4564/4885
US-20100010000-A1 AMINO ALCOHOL DERIVATIVE AND IMMUNOSUPPRESIVE AGENT HAVING SAME AS AN ACTIVE INGREDIENT ALDH7A1, AADAT, IDO1 RXFP1 4647/4885SIRT2 2251/4885IDH1 706/4885

“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.