SCHEMBL1430675

SCHEMBL1430675

C=CCOC[C@@H](NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.53
PPARG P37231 6/20 0.51
SMN1; SMN2 Q16637 1/20 0.48
CTSS P25774 7/20 0.43
CTSK P43235 6/20 0.43
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
ACE P12821 1/20 0.41
PPARD Q03181 2/20 0.40
MAPT P10636 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
IDO1 P14902 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39

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
SCHEMBL614209 1.00 PPARA (0.53) PPARAPPARGSMN1; SMN2CTSSCTSK
SCHEMBL614208 1.00 PPARA (0.53) PPARAPPARGSMN1; SMN2CTSSCTSK
Serine SCHEMBL8588277 0.90 PPARA (0.46) PPARAPPARGSMN1; SMN2CTSSCTSK
Serine SCHEMBL8588281 0.90 PPARA (0.46) PPARAPPARGSMN1; SMN2CTSSCTSK
Benzoic Acid SCHEMBL9540832 0.88 PPARA (0.61) PPARAPPARGSMN1; SMN2CTSSCTSK
SCHEMBL1604541 0.87 SMN1; SMN2 (0.50) PPARAPPARGSMN1; SMN2CTSSCTSK
SCHEMBL615910 0.87 SMN1; SMN2 (0.50) PPARAPPARGSMN1; SMN2CTSSCTSK
SCHEMBL615909 0.87 SMN1; SMN2 (0.50) PPARAPPARGSMN1; SMN2CTSSCTSK
SCHEMBL2241213 0.86 SMN1; SMN2 (0.46) PPARAPPARGSMN1; SMN2CTSSCTSK
SCHEMBL25755437 0.86 SMN1; SMN2 (0.46) PPARAPPARGSMN1; SMN2CTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024101402-A1 PHARMACEUTICAL COMPOSITION CONTAINING CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT AGAINST HRAS AND NRAS 中外製薬株式会社 2024-05-16 WO disclosed
US-20230210999-A1 TARGETED PROTEASE DEGRADATION (TED) PLATFORM EUBULUS BIOTHERAPEUTICS (HONG KONG) LIMITED (HK) 2023-07-06 US disclosed
WO-2022234853-A1 CYCLIC COMPOUND HAVING INHIBITORY EFFECT SELECTIVE FOR KRAS BUT NOT FOR HRAS AND NRAS 中外製薬株式会社 2022-11-10 WO disclosed
US-9688645-B2 Macrocyclic urea and sulfamide derivatives as inhibitors of TAFIa SANOFI (FR) 2017-06-27 US disclosed
US-20160251324-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA SANOFI-AVENTIS (FR) 2016-09-01 US disclosed
US-9309207-B2 Macrocyclic urea and sulfamide derivatives as inhibitors of TAFIa SANOFI (FR) 2016-04-12 US disclosed
US-20160024033-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA SANOFI-AVENTIS (FR) 2016-01-28 US disclosed
US-9126955-B2 Macrocyclic urea and sulfamide derivatives as inhibitors of TAFIa SANOFI (FR) 2015-09-08 US disclosed
US-20140206760-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA SANOFI (FR) 2014-07-24 US disclosed
EP-2300462-B1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA SANOFI SA (FR) 2014-05-21 EP disclosed
US-8722655-B2 Macrocyclic urea and sulfamide derivatives as inhibitors of tafia SANOFI (FR) 2014-05-13 US disclosed
US-20140039011-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA SANOFI (FR) 2014-02-06 US disclosed
US-8580777-B2 Macrocyclic urea and sulfamide derivatives as inhibitors of TAFIa SANOFI (FR) 2013-11-12 US disclosed
US-20110178130-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIa SANOFI-AVENTIS (FR) 2011-07-21 US disclosed
EP-2300462-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA Sanofi-aventis (FR) 2011-03-30 EP disclosed
WO-2009146802-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA SANOFI-AVENTIS (FR) 2009-12-10 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-20160024033-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA TFPI, TFPI2, SERPINC1 PPARA 2356/4885PPARG 2483/4885SMN1; SMN2 3349/4885
US-20110178130-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIa TFPI, TFPI2, SERPINC1 PPARA 2356/4885PPARG 2483/4885SMN1; SMN2 3349/4885
US-20140039011-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA TFPI, TFPI2, SERPINC1 PPARA 2356/4885PPARG 2483/4885SMN1; SMN2 3349/4885
US-20230210999-A1 TARGETED PROTEASE DEGRADATION (TED) PLATFORM UCHL3, UBE2L3, ADAM33 PPARA 4777/4885PPARG 4787/4885SMN1; SMN2 2462/4885
US-20140206760-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA TFPI, TFPI2, SERPINC1 PPARA 2357/4885PPARG 2493/4885SMN1; SMN2 3351/4885
US-20160251324-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA TFPI, TFPI2, SERPINC1 PPARA 2356/4885PPARG 2483/4885SMN1; SMN2 3349/4885

“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.