SCHEMBL2497731

SCHEMBL2497731

O=C(OC(=O)c1ccc(Br)c(OC2CCCCO2)c1)c1ccc(Br)c(OC2CCCCO2)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.42
PDE4B Q07343 1/20 0.42
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.39
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 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
SCHEMBL2060107 0.90 PTPN1 (0.45) PTPN1PDE4BKMT2AMAPTHPGD
SCHEMBL29377172 0.90 PTPN1 (0.45) PTPN1PDE4BKMT2AMAPTHPGD
SCHEMBL12191799 0.90 KMT2A (0.49) PTPN1PDE4BKMT2AMEN1CA12
SCHEMBL2497725 0.90 KMT2A (0.49) PTPN1PDE4BKMT2AMEN1CA12
SCHEMBL1584718 0.80 NOTUM (0.48) PTPN1PDE4BKMT2AMAPTHPGD
SCHEMBL7802721 0.79 PTPN1 (0.37) PTPN1PDE4BHPGDSMN1; SMN2CA1
SCHEMBL1755976 0.78 HSD11B1 (0.41) PTPN1PDE4BKMT2AMEN1NPC1
SCHEMBL12831493 0.77 PTPN1 (0.39) PTPN1PDE4BKMT2AMEN1NPC1
SCHEMBL2780758 0.77 L3MBTL1 (0.42) PTPN1
SCHEMBL5166212 0.77 PTPN1 (0.38) PTPN1PDE4BKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450522-B2 Conformationally constrained carboxylic acid derivatives useful for treating metabolic disorders AMGEN INC. (US) 2013-05-28 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-2260017-A1 CONFORMATIONALLY CONSTRAINED CARBOXYLIC ACID DERIVATIVES USEFUL FOR TREATING METABOLIC DISORDERS Amgen, Inc (US) 2010-12-15 EP disclosed
US-20100298367-A1 Conformationally Constrained Carboxylic Acid Derivatives Useful for Treating Metabolic Disorders AMGEN INC. 2010-11-25 US disclosed
EP-2205548-A1 SUBSTITUTED BIPHENYL GPR40 MODULATORS Amgen, Inc (US) 2010-07-14 EP disclosed
WO-2009111056-A1 CONFORMATIONALLY CONSTRAINED CARBOXYLIC ACID DERIVATIVES USEFUL FOR TREATING METABOLIC DISORDERS AMGEN INC. (US) 2009-09-11 WO 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

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 PTPN1 1424/4885PDE4B 611/4885KMT2A 3040/4885
US-20100298367-A1 Conformationally Constrained Carboxylic Acid Derivatives Useful for Treating Metabolic Disorders PC, GOT2, CS PTPN1 4390/4885PDE4B 1953/4885KMT2A 2883/4885

“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.