SCHEMBL2497725

SCHEMBL2497725

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
PTPN1 P18031 3/20 0.44
PDE4B Q07343 2/20 0.43
CREBBP Q92793 2/20 0.39
HCAR3 P49019 1/20 0.39
PDE4A P27815 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
DPP4 P27487 1/20 0.37
EP300 Q09472 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA7 P43166 1/20 0.36
TPMT P51580 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36

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
SCHEMBL12191799 1.00 KMT2A (0.49) KMT2AMEN1PTPN1PDE4BCREBBP
SCHEMBL2497731 0.90 PTPN1 (0.42) KMT2AMEN1PTPN1PDE4BCA12
SCHEMBL29377172 0.87 PTPN1 (0.45) KMT2APTPN1PDE4B
SCHEMBL2060107 0.87 PTPN1 (0.45) KMT2APTPN1PDE4B
SCHEMBL7802721 0.81 PTPN1 (0.37) PTPN1PDE4BCA1CA2
SCHEMBL1755976 0.80 HSD11B1 (0.41) KMT2AMEN1PTPN1PDE4B
SCHEMBL12831493 0.79 PTPN1 (0.39) KMT2AMEN1PTPN1PDE4BCA12
SCHEMBL2780758 0.79 L3MBTL1 (0.42) PTPN1
SCHEMBL5166212 0.79 PTPN1 (0.38) KMT2AMEN1PTPN1PDE4B
SCHEMBL225085 0.79 KMT2A (0.65) KMT2AMEN1CA1CA2

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 4 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
US-20100298367-A1 Conformationally Constrained Carboxylic Acid Derivatives Useful for Treating Metabolic Disorders AMGEN INC. 2010-11-25 US disclosed
US-20090137561-A1 Substituted biphenyl GPR40 modulators AMGEN INC. (US) 2009-05-28 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 (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 KMT2A 3040/4885MEN1 3240/4885PTPN1 1424/4885
US-20100298367-A1 Conformationally Constrained Carboxylic Acid Derivatives Useful for Treating Metabolic Disorders PC, GOT2, CS KMT2A 2883/4885MEN1 1233/4885PTPN1 4390/4885

“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.