SCHEMBL3302985

SCHEMBL3302985

CC(C)(C)OC(=O)N[C@@](C)(CO)CCCc1ccc(Sc2cccc(C(F)(F)F)c2)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 2/20 0.35
HPGD P15428 1/20 0.35
XBP1 P17861 1/20 0.35
AAK1 Q2M2I8 5/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
IDO1 P14902 1/20 0.33
ALDH1A1 P00352 1/20 0.33
IDH1 O75874 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
SCHEMBL3299918 1.00 S1PR1 (0.37) S1PR1SIRT2RXFP1MAPTKDM4E
Hydrochloric Acid SCHEMBL3304662 0.99 S1PR1 (0.37) S1PR1SIRT2RXFP1MAPTKDM4E
SCHEMBL3303300 0.95 S1PR1 (0.40) S1PR1SIRT2RXFP1MAPTKDM4E
SCHEMBL3303292 0.95 S1PR1 (0.40) S1PR1SIRT2RXFP1MAPTKDM4E
SCHEMBL3302585 0.94 S1PR1 (0.38) S1PR1SIRT2MAPTKDM4EHPGD
SCHEMBL1562448 0.92 S1PR1 (0.37) S1PR1SIRT2RXFP1MAPTKDM4E
SCHEMBL3298161 0.90 SIRT2 (0.37) SIRT2RXFP1KDM4EHPGDXBP1
SCHEMBL3298164 0.90 SIRT2 (0.37) SIRT2RXFP1KDM4EHPGDXBP1
SCHEMBL3303434 0.89 S1PR1 (0.35) S1PR1SIRT2RXFP1MAPTKDM4E
SCHEMBL3303426 0.89 S1PR1 (0.35) S1PR1SIRT2RXFP1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2053038-B1 AMINO ALCOHOL DERIVATIVE AND IMMUNOSUPPRESSIVE AGENT HAVING SAME AS AN ACTIVE INGREDIENT KYORIN SEIYAKU KK (JP) 2016-10-05 EP disclosed
EP-2058317-B1 AMINOPHOSPHORIC ACID ESTER DERIVATIVE AND S1P RECEPTOR MODULATOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN SEIYAKU KK (JP) 2013-10-16 EP 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-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-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-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-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
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
EP-2058317-A1 AMINOPHOSPHORIC ACID ESTER DERIVATIVE AND S1P RECEPTOR MODULATOR CONTAINING THE SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2009-05-13 EP disclosed
EP-2053038-A1 AMINOALCOHOL DERIVATIVE AND IMMUNOSUPPRESSANT CONTAINING THE SAME AS AN ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2009-04-29 EP 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 S1PR1 1/4885SIRT2 2716/4885RXFP1 393/4885
US-20100324057-A1 THERAPEUTIC AGENT OR PROPHYLACTIC AGENT FOR INFLAMMATORY BOWEL DISEASE COMPRISING AMINO ALCOHOL DERIVATIVE AS ACTIVE INGREDIENT S1PR1, S1PR2, SPHK1 S1PR1 1/4885SIRT2 1580/4885RXFP1 227/4885
US-20100010000-A1 AMINO ALCOHOL DERIVATIVE AND IMMUNOSUPPRESIVE AGENT HAVING SAME AS AN ACTIVE INGREDIENT ALDH7A1, AADAT, IDO1 S1PR1 2503/4885SIRT2 2251/4885RXFP1 4647/4885
US-20100093745-A1 THERAPEUTIC AGENT OR PROPHYLACTIC AGENT FOR DEMYELINATING DISEASE COMPRISING AMINO ALCOHOL DERIVATIVE AS ACTIVE INGREDIENT S1PR1, MAG, PMP22 S1PR1 1/4885SIRT2 2313/4885RXFP1 692/4885

“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.