SCHEMBL5415569

SCHEMBL5415569

CC(C)(C)OC(=O)C[C@@H](CCCC1CCCCC1)C(=O)[O-].[Na+]

nearest known ligand 0.39

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 2/20 0.34
PPARG known ✓ P37231 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.36
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
BMP1 P13497 5/20 0.34
MMP2 P08253 3/20 0.34
MMP3 P08254 1/20 0.34
CYP1A2 P05177 1/20 0.34
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
BCHE P06276 1/20 0.33
EPHX1 P07099 1/20 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
SCHEMBL5398181 0.86 PPARG (0.41) SMN1; SMN2CTSSCTSKBMP1MMP2
SCHEMBL5403076 0.86 PPARG (0.41) SMN1; SMN2CTSSCTSKBMP1MMP2
SCHEMBL6872894 0.85 BMP1 (0.37) SMN1; SMN2CTSSCTSKBMP1MMP2
SCHEMBL5415572 0.85 PPARG (0.40) SMN1; SMN2CTSSCTSKBMP1MMP2
SCHEMBL5415566 0.85 PPARG (0.40) SMN1; SMN2CTSSCTSKBMP1MMP2
Cyclohexylamine SCHEMBL5408527 0.81 PPARG (0.38) SMN1; SMN2CTSSCTSKBMP1MMP2
SCHEMBL6872619 0.81 SMN1; SMN2 (0.36) SMN1; SMN2CTSSCTSKBMP1MMP2
Cyclohexylamine SCHEMBL5408520 0.81 PPARG (0.38) SMN1; SMN2CTSSCTSKBMP1MMP2
SCHEMBL6872622 0.81 SMN1; SMN2 (0.36) SMN1; SMN2CTSSCTSKBMP1MMP2
SCHEMBL5408525 0.79 EPHX1 (0.43) SMN1; SMN2CTSSCTSKBMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7214694-B2 3-ox(adi)azolylpropanohydroxamic acids useful as procollagen C-proteinase inhibitors PFIZER INC (US) 2007-05-08 US disclosed
EP-1343771-B1 3-OX(ADI)AZOLYLPROPANOHYDROXAMIC ACIDS USEFUL AS PROCOLLAGEN C-PROTEINASE INHIBITORS PFIZER LTD (GB) 2006-04-12 EP disclosed
US-20040142986-A1 3-ox(adi)azolylpropanohydroxamic acids useful as procollagen C-proteinase inhibitors DATTA USA (GB) 2004-07-22 US disclosed
US-6750363-B2 Olefination process to itaconate and succinate derivatives PFIZER, INC. 2004-06-15 US disclosed
US-6716861-B2 HETEROCYCLIC 1,2,4-OXADIAZOLE OR OXAZOLE RING CONTAINING PROPANOHYDROXAMIC ACIDS USEFUL AS ANTISCARRING AGENT PFIZER, INC. 2004-04-06 US disclosed
US-20020188121-A1 Novel olefination process to itaconate and succinate derivatives DERRICK ANDREW MICHAEL (GB) 2002-12-12 US disclosed
US-20020151535-A1 3-ox(adi) azolylpropanohydroxamic acids useful as procollagen C- Proteinase inhibitors PFIZER, INC 2002-10-17 US disclosed
US-6452041-B1 REACTING ALDEHYDE OF FORMULA RCHO, OR A PROTECTED DERIVATIVE THEREOF SUCH AS A HEMIACETAL OR ADDUCT THEREOF SUCH AS A BISULPHITE, WITH A PHOSPHORUS COMPOUND TO OBTAIN SUCCINATE OR ITACONATE DERIVATIVE PFIZER INC. 2002-09-17 US disclosed
US-20020058832-A1 Novel olefination process to itaconate and succinate derivatives PFIZER INC. 2002-05-16 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 (4 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-20020188121-A1 Novel olefination process to itaconate and succinate derivatives HOGA1, OGDH, HADHA CA2 1760/4885PPARG 1366/4885SMN1; SMN2 2682/4885
US-20020058832-A1 Novel olefination process to itaconate and succinate derivatives HOGA1, HADHA, OGDH CA2 1941/4885PPARG 960/4885SMN1; SMN2 2823/4885
US-20020151535-A1 3-ox(adi) azolylpropanohydroxamic acids useful as procollagen C- Proteinase inhibitors ALPI, TIMP3, MMP1 CA2 184/4885PPARG 1787/4885SMN1; SMN2 4510/4885
US-20040142986-A1 3-ox(adi)azolylpropanohydroxamic acids useful as procollagen C-proteinase inhibitors ALPI, TIMP3, MMP1 CA2 184/4885PPARG 1787/4885SMN1; SMN2 4510/4885

“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.