SCHEMBL1175106

SCHEMBL1175106

COC(=O)c1ccc(OS(=O)(=O)C(F)(F)F)c(C=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 2/20 0.44
▸ ERN1 O75460 6/20 0.43
▸ ALDH1A1 P00352 5/20 0.42
▸ MAPT P10636 1/20 0.40
▸ HCRTR1 O43613 1/20 0.40
▸ HCRTR2 O43614 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ XDH P47989 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ CA14 Q9ULX7 1/20 0.39
▸ STS P08842 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL13611999 0.87 NOTUM (0.42) NOTUMALDH1A1MAPTKDM4ELMNA
SCHEMBL4580602 0.82 MAPT (0.57) NOTUMALDH1A1MAPTKDM4ELMNA
SCHEMBL31336381 0.82 MAPT (0.57) NOTUMALDH1A1MAPTKDM4ELMNA
SCHEMBL6134609 0.82 NOTUM (0.50) NOTUMALDH1A1MAPTKDM4ELMNA
SCHEMBL2934710 0.82 MAPT (0.57) NOTUMALDH1A1MAPTKDM4ELMNA
SCHEMBL14616750 0.82 NOTUM (0.53) NOTUMALDH1A1MAPTKDM4ELMNA
SCHEMBL2314446 0.82 NOTUM (0.47) NOTUMALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL31238876 0.82 MAPT (0.57) NOTUMALDH1A1MAPTKDM4ELMNA
SCHEMBL2469383 0.81 NOTUM (0.57) NOTUMALDH1A1MAPTKDM4ELMNA
SCHEMBL3901808 0.81 PDK2 (0.48) NOTUMALDH1A1MAPTL3MBTL1CA12

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111303195-B Boron-containing micromolecule compound, preparation method and application thereof 中国医学科学院放射医学研究所 2022-09-27 — — CN disclosed
CN-111303195-A Boron-containing micromolecule compound, preparation method and application thereof 中国医学科学院放射医学研究所 2020-06-19 — — CN disclosed
US-8748462-B2 Spirocyclic GPR40 modulators AMGEN INC. (US) 2014-06-10 — — US disclosed
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-8450522-B2 Conformationally constrained carboxylic acid derivatives useful for treating metabolic disorders AMGEN INC. (US) 2013-05-28 — — US disclosed
US-8450522-B2 Conformationally constrained carboxylic acid derivatives useful for treating metabolic disorders AMGEN INC. (US) 2013-05-28 — — US disclosed
US-8450522-B2 Conformationally constrained carboxylic acid derivatives useful for treating metabolic disorders AMGEN INC. (US) 2013-05-28 — — US disclosed
US-8410151-B2 Aminomethyl benzene derivatives ACTELION PHARMACEUTICALS LTD (CH) 2013-04-02 — — US 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
WO-2009111056-A1 CONFORMATIONALLY CONSTRAINED CARBOXYLIC ACID DERIVATIVES USEFUL FOR TREATING METABOLIC DISORDERS AMGEN INC. (US) 2009-09-11 — — WO disclosed
WO-2009109904-A1 NOVEL AMINOMETHYL BENZENE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-09-11 — — WO 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
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 (1 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 NOTUM 2487/4885ERN1 4662/4885ALDH1A1 1149/4885

“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.

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