Sugi Predict

Sugi Predict / Compounds / SCHEMBL2323936

SCHEMBL2323936

SCHEMBL2323936

C[C@H](Oc1ccc(C(=O)O)cc1C(F)(F)F)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 3/20 0.46
▸ RXRB P28702 3/20 0.46
▸ RXRG P48443 3/20 0.46
▸ RORC P51449 1/20 0.45
▸ SRD5A2 P31213 1/20 0.44
▸ RAB9A P51151 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA4 P22748 1/20 0.42
▸ CA6 P23280 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ TPMT P51580 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ CA14 Q9ULX7 1/20 0.42
▸ MRGPRX4 Q96LA9 4/20 0.42
▸ S1PR1 P21453 1/20 0.41

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
SCHEMBL1798095 1.00 RXRA (0.46) RXRARXRBRXRGRORCSRD5A2
SCHEMBL403300 0.88 RXRA (0.58) RXRARXRBRXRGSRD5A2RAB9A
SCHEMBL10310530 0.86 NOTUM (0.54) RXRARXRBRXRGRORCLMNA
SCHEMBL12619009 0.84 RAB9A (0.59) RORCRAB9ALMNAMAPK1HTT
SCHEMBL12619011 0.84 RORC (0.46) RORCRAB9ALMNAMAPK1HTT
SCHEMBL27669730 0.84 TTR (0.49) RORCRAB9ALMNAMAPK1HTT
SCHEMBL27669788 0.83 RXRA (0.47) RXRARXRBRXRGSRD5A2RAB9A
SCHEMBL3495790 0.83 RXRA (0.47) RXRARXRBRXRGSRD5A2RAB9A
SCHEMBL12619014 0.82 CA12 (0.63) RORCRAB9ALMNAMAPK1HTT
SCHEMBL2617346 0.82 RORC (0.61) RXRARXRBRXRGRORCRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2354134-B1 2H-CHROMENE DERIVATIVES AS STIMULATORS OF SPHINGOSINE 1-PHOSPHATE RECEPTOR ASTELLAS PHARMA INC (JP) 2016-02-24 — — EP disclosed
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF ASTELLAS PHARMA INC. (JP) 2012-07-12 — — US disclosed
US-8193378-B2 2H-chromene compound and derivative thereof ASTELLAS PHARMA INC. (JP) 2012-06-05 — — US disclosed
US-20110230463-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF ASTELLAS PHARMA INC. (JP) 2011-09-22 — — US disclosed
EP-2354134-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF Astellas Pharma Inc. (JP) 2011-08-10 — — EP disclosed
US-7951825-B2 Hetero compound ASTELLAS PHARMA INC. (JP) 2011-05-31 — — US disclosed
US-7951825-B2 Hetero compound ASTELLAS PHARMA INC. (JP) 2011-05-31 — — US disclosed
US-20100168159-A1 HETERO COMPOUND ASTELLAS PHARMA INC. (JP) 2010-07-01 — — US disclosed
US-20100168159-A1 HETERO COMPOUND ASTELLAS PHARMA INC. (JP) 2010-07-01 — — US disclosed
US-7678820-B2 Hetero compound ASTELLAS PHARMA INC. (JP) 2010-03-16 — — US disclosed
US-7678820-B2 Hetero compound ASTELLAS PHARMA INC. (JP) 2010-03-16 — — US disclosed
US-20090076070-A1 HETERO COMPOUND ASTELLAS PHARMA INC. (JP) 2009-03-19 — — US disclosed
US-20090076070-A1 HETERO COMPOUND ASTELLAS PHARMA INC. (JP) 2009-03-19 — — US disclosed
EP-1625123-A4 3-(2-AMINO-1-AZACYCLYL)-5-ARYL-1,2,4-OXADIAZOLES AS S1P RECEPTOR AGONISTS MERCK & CO INC (US) 2007-08-29 — — EP disclosed
US-20070043014-A1 3,5-Aryl, heteroaryl or cycloalkyl substituted-1,2,4-oxadiazoles as s1p receptor agonists MERCK & CO., INC. (US) 2007-02-22 — — US disclosed
US-20060252741-A1 3-(2-amino-1-azacyclyl)-5-aryl-1,2,4-oxadiazoles as s1p receptor agonists MERCK & CO., INC. 2006-11-09 — — US disclosed
EP-1670463-A2 3,5-ARYL, HETEROARYL OR CYCLOALKYL SUBSTITUTED-1,2,4-OXADIAZOLES AS S1P RECEPTOR AGONISTS Merck & Co., Inc. (US) 2006-06-21 — — EP disclosed
EP-1625123-A2 3-(2-AMINO-1-AZACYCLYL)-5-ARYL-1,2,4-OXADIAZOLES AS S1P RECEPTOR AGONISTS Merck & Co., Inc. (US) 2006-02-15 — — EP disclosed
WO-2005032465-A2 3,5-ARYL, HETEROARYL OR CYCLOALKYL SUBSTITUTED-1,2,4-OXADIAZOLES AS S1P RECEPTOR AGONISTS MERCK & CO., INC. (US) 2005-04-14 — — WO disclosed
WO-2004103279-A2 3-(2-AMINO-1-AZACYCLYL)-5-ARYL-1,2,4-OXADIAZOLES AS S1P RECEPTOR AGONISTS MERCK & CO., INC. (US) 2004-12-02 — — 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 (6 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-20070043014-A1 3,5-Aryl, heteroaryl or cycloalkyl substituted-1,2,4-oxadiazoles as s1p receptor agonists S1PR3, S1PR1, S1PR5 RXRA 2543/4885RXRB 2263/4885RXRG 2492/4885
US-20100168159-A1 HETERO COMPOUND S1PR1, ENPP2, LPAR1 RXRA 1973/4885RXRB 1836/4885RXRG 1318/4885
US-20110230463-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, CCR1 RXRA 552/4885RXRB 556/4885RXRG 599/4885
US-20060252741-A1 3-(2-amino-1-azacyclyl)-5-aryl-1,2,4-oxadiazoles as s1p receptor agonists S1PR1, S1PR3, S1PR5 RXRA 1707/4885RXRB 1467/4885RXRG 1674/4885
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, S1PR4 RXRA 452/4885RXRB 419/4885RXRG 449/4885
US-20090076070-A1 HETERO COMPOUND S1PR1, ENPP2, LPAR1 RXRA 1973/4885RXRB 1836/4885RXRG 1318/4885

“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.