SCHEMBL2313836

SCHEMBL2313836

C=CC1(c2cc(C(=O)OC)ccc2OS(=O)(=O)C(F)(F)F)CCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.38
NOTUM Q6P988 2/20 0.37
ERAP2 Q6P179 1/20 0.35
ERAP1 Q9NZ08 1/20 0.35
ALDH1A1 P00352 4/20 0.34
MAPT P10636 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RARA P10276 1/20 0.34
RARB P10826 1/20 0.34
RARG P13631 1/20 0.34
RORC P51449 1/20 0.34
CYP3A4 P08684 3/20 0.33
ESRRA P11474 1/20 0.33
KDM4E B2RXH2 4/20 0.33
POLB P06746 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
CYP2C9 P11712 2/20 0.33
MEN1 O00255 2/20 0.33
NPC1 O15118 2/20 0.33
THRB P10828 2/20 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
SCHEMBL2312612 0.78 CA12 (0.51) PDK2ALDH1A1MAPTL3MBTL1RARA
SCHEMBL12388852 0.77 ALDH1A1 (0.40) PDK2NOTUMALDH1A1MAPTRARA
SCHEMBL5887929 0.76 RARA (0.47) PDK2NOTUMALDH1A1MAPTRARA
SCHEMBL2310292 0.74 NOTUM (0.41) PDK2NOTUMALDH1A1MAPTCYP3A4
SCHEMBL4771232 0.74 ELANE (0.46) PDK2NOTUMALDH1A1MAPTL3MBTL1
SCHEMBL2934710 0.74 MAPT (0.57) NOTUMALDH1A1MAPTCYP3A4KDM4E
SCHEMBL2314446 0.74 NOTUM (0.47) NOTUMALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL31238876 0.74 MAPT (0.57) NOTUMALDH1A1MAPTCYP3A4KDM4E
SCHEMBL14616750 0.74 NOTUM (0.53) PDK2NOTUMALDH1A1MAPTKDM4E
SCHEMBL6134609 0.74 NOTUM (0.50) PDK2NOTUMALDH1A1MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748462-B2 Spirocyclic GPR40 modulators AMGEN INC. (US) 2014-06-10 US disclosed
EP-2358656-B1 SPIROCYCLIC GPR40 MODULATORS AMGEN INC (US) 2014-01-01 EP disclosed
EP-2358656-B1 SPIROCYCLIC GPR40 MODULATORS AMGEN INC (US) 2014-01-01 EP disclosed
US-8030354-B2 2-(5,5-Dimethylcyclopent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; metabolic disorders such as type II diabetes AMGEN INC. (US) 2011-10-04 US disclosed
US-8030354-B2 2-(5,5-Dimethylcyclopent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; metabolic disorders such as type II diabetes AMGEN INC. (US) 2011-10-04 US disclosed
US-8030354-B2 2-(5,5-Dimethylcyclopent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; metabolic disorders such as type II diabetes AMGEN INC. (US) 2011-10-04 US disclosed
EP-2358656-A2 SPIROCYCLIC GPR40 MODULATORS Amgen, Inc (US) 2011-08-24 EP disclosed
US-20110190330-A1 SPIROCYCLIC GPR40 MODULATORS AMGEN INC. (US) 2011-08-04 US disclosed
US-20110190330-A1 SPIROCYCLIC GPR40 MODULATORS AMGEN INC. (US) 2011-08-04 US disclosed
EP-2205548-A1 SUBSTITUTED BIPHENYL GPR40 MODULATORS Amgen, Inc (US) 2010-07-14 EP disclosed
WO-2010045258-A2 SPIROCYCLIC GPR40 MODULATORS AMGEN INC. (US) 2010-04-22 WO disclosed
WO-2010045258-A2 SPIROCYCLIC GPR40 MODULATORS AMGEN INC. (US) 2010-04-22 WO disclosed
US-20090137561-A1 Substituted biphenyl GPR40 modulators AMGEN INC. (US) 2009-05-28 US disclosed
US-20090137561-A1 Substituted biphenyl GPR40 modulators AMGEN INC. (US) 2009-05-28 US disclosed
US-20090137561-A1 Substituted biphenyl GPR40 modulators AMGEN INC. (US) 2009-05-28 US disclosed
WO-2009048527-A1 SUBSTITUTED BIPHENYL GPR40 MODULATORS AMGEN INC. (US) 2009-04-16 WO disclosed
WO-2009048527-A1 SUBSTITUTED BIPHENYL GPR40 MODULATORS AMGEN INC. (US) 2009-04-16 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 (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-20090137561-A1 Substituted biphenyl GPR40 modulators GPR119, GPR65, GPR55 PDK2 1210/4885NOTUM 2487/4885ERAP2 883/4885
US-20110190330-A1 SPIROCYCLIC GPR40 MODULATORS GPR119, GPR55, GPR65 PDK2 953/4885NOTUM 3893/4885ERAP2 1721/4885

“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.