SCHEMBL3304734

SCHEMBL3304734

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.37
THRB P10828 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 3/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
MEN1 O00255 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
IDH1 O75874 1/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
S1PR1 P21453 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
SCHEMBL1455821 0.96 THRB (0.41) SIRT2THRBNPSR1KDM4EMAPT
SCHEMBL3583777 0.90 SIRT2 (0.37) SIRT2KDM4EMAPTKMT2APOLB
SCHEMBL1480163 0.89 THRB (0.41) SIRT2THRBMAPTKMT2APOLB
SCHEMBL3297358 0.87 SIRT2 (0.39) SIRT2THRBNPSR1KDM4EMAPT
SCHEMBL1563909 0.86 SIRT2 (0.37) SIRT2THRBNPSR1KDM4EMAPT
SCHEMBL3302585 0.84 S1PR1 (0.38) SIRT2KDM4EMAPTKMT2AALDH1A1
SCHEMBL3304123 0.84 SIRT2 (0.37) SIRT2NPSR1KDM4EMAPTKMT2A
SCHEMBL15310409 0.84 SIRT2 (0.37) SIRT2THRBNPSR1KDM4EMAPT
SCHEMBL3301977 0.84 SIRT2 (0.37) SIRT2THRBNPSR1KDM4EMAPT
SCHEMBL13408577 0.83 MRGPRX4 (0.37) SIRT2NPSR1KDM4EMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476305-B2 Therapeutic agent or prophylactic agent for inflammatory bowel disease comprising amino alcohol derivative as active ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2013-07-02 US disclosed
US-8476305-B2 Therapeutic agent or prophylactic agent for inflammatory bowel disease comprising amino alcohol derivative as active ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2013-07-02 US disclosed
US-8476305-B2 Therapeutic agent or prophylactic agent for inflammatory bowel disease comprising amino alcohol derivative as active ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2013-07-02 US disclosed
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-20100324057-A1 THERAPEUTIC AGENT OR PROPHYLACTIC AGENT FOR INFLAMMATORY BOWEL DISEASE COMPRISING AMINO ALCOHOL DERIVATIVE AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-12-23 US disclosed
US-20100324057-A1 THERAPEUTIC AGENT OR PROPHYLACTIC AGENT FOR INFLAMMATORY BOWEL DISEASE COMPRISING AMINO ALCOHOL DERIVATIVE AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-12-23 US disclosed
US-20100093745-A1 THERAPEUTIC AGENT OR PROPHYLACTIC AGENT FOR DEMYELINATING DISEASE COMPRISING AMINO ALCOHOL DERIVATIVE AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-04-15 US disclosed
US-20100093745-A1 THERAPEUTIC AGENT OR PROPHYLACTIC AGENT FOR DEMYELINATING DISEASE COMPRISING AMINO ALCOHOL DERIVATIVE AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-04-15 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 (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-20090325907-A1 AMINO PHOSPHATE DERIVATIVE AND S1P RECEPTOR MODULATOR HAVING SAME AS AN ACTIVE INGREDIENT S1PR1, S1PR2, S1PR5 SIRT2 2716/4885THRB 772/4885NPSR1 108/4885
US-20100324057-A1 THERAPEUTIC AGENT OR PROPHYLACTIC AGENT FOR INFLAMMATORY BOWEL DISEASE COMPRISING AMINO ALCOHOL DERIVATIVE AS ACTIVE INGREDIENT S1PR1, S1PR2, SPHK1 SIRT2 1580/4885THRB 1407/4885NPSR1 448/4885
US-20100010000-A1 AMINO ALCOHOL DERIVATIVE AND IMMUNOSUPPRESIVE AGENT HAVING SAME AS AN ACTIVE INGREDIENT ALDH7A1, AADAT, IDO1 SIRT2 2251/4885THRB 4392/4885NPSR1 3761/4885
US-20100093745-A1 THERAPEUTIC AGENT OR PROPHYLACTIC AGENT FOR DEMYELINATING DISEASE COMPRISING AMINO ALCOHOL DERIVATIVE AS ACTIVE INGREDIENT S1PR1, MAG, PMP22 SIRT2 2313/4885THRB 1552/4885NPSR1 590/4885

“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.