SCHEMBL5398181

SCHEMBL5398181

CC(C)(C)OC(=O)C[C@@H](CCCC1CCCCC1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.41
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
BMP1 P13497 3/20 0.38
MMP2 P08253 2/20 0.38
MMP3 P08254 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 1/20 0.36
MAPT P10636 1/20 0.35
EPHX1 P07099 1/20 0.35
BCHE P06276 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL5403076 1.00 PPARG (0.41) PPARGMEN1GAAKMT2ACTSS
SCHEMBL5415572 0.99 PPARG (0.40) PPARGMEN1GAAKMT2ACTSS
SCHEMBL5415566 0.99 PPARG (0.40) PPARGMEN1GAAKMT2ACTSS
Cyclohexylamine SCHEMBL5408520 0.94 PPARG (0.38) PPARGMEN1GAAKMT2ACTSS
Cyclohexylamine SCHEMBL5408527 0.94 PPARG (0.38) PPARGMEN1GAAKMT2ACTSS
SCHEMBL6872894 0.87 BMP1 (0.37) MEN1KMT2ACTSSCTSKBMP1
SCHEMBL5415569 0.86 SMN1; SMN2 (0.36) PPARGCTSSCTSKBMP1MMP2
SCHEMBL1704461 0.85 CTSK (0.45) PPARGMEN1GAAKMT2ACTSS
SCHEMBL1914687 0.85 CTSK (0.45) PPARGMEN1GAAKMT2ACTSS
SCHEMBL4985951 0.84 PPARG (0.36) PPARGMEN1GAAKMT2ACTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030119807-A1 3-Heterocyclylpropanohydroxamic acids BAILEY SIMON (US) 2003-06-26 US claimed
JP-2003519133-A 2003-06-17 JP claimed
EP-1240152-A1 OX(ADI)AZOLYL-HYDROXAMIC ACIDS USEFUL AS PROCOLLAGEN C-PROTEINASE INHIBITORS Pfizer Limited (GB) 2002-09-18 EP claimed
US-20010021718-A1 Procollagen C-proteinase inhibitors PFIZER INC. 2001-09-13 US claimed
WO-2001047901-A1 OX(ADI)AZOLYL-HYDROXAMIC ACIDS USEFUL AS PROCOLLAGEN C-PROTEINASE INHIBITORS PFIZER LIMITED (GB) 2001-07-05 WO claimed
US-7214694-B2 3-ox(adi)azolylpropanohydroxamic acids useful as procollagen C-proteinase inhibitors PFIZER INC (US) 2007-05-08 US disclosed
US-7214694-B2 3-ox(adi)azolylpropanohydroxamic acids useful as procollagen C-proteinase inhibitors PFIZER INC (US) 2007-05-08 US disclosed
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
EP-1373231-B1 3-HETEROCYCLYL-PROPANO-HYDROXAMIC ACID AS PCP INHIBITORS PFIZER LTD (GB) 2005-06-08 EP disclosed
US-6897306-B2 3-heterocyclylpropanohydroxamic acids PFIZER PRODUCTS, INC. (US) 2005-05-24 US disclosed
EP-1373264-B1 3-HETEROCYCLYLPROPANOHYDROXAMIC ACID AS PROCOLLAGEN C-PROTEINASE INHIBITORS PFIZER LTD (GB) 2004-12-22 EP disclosed
WO-2002079200-A1 3-HETEROCYCLYLPROPANOHYDROXAMIC ACID AS PROCOLLAGEN C-PROTEINASE INHIBITORS PFIZER LIMITED (GB) 2002-10-10 WO disclosed
EP-1240152-A1 OX(ADI)AZOLYL-HYDROXAMIC ACIDS USEFUL AS PROCOLLAGEN C-PROTEINASE INHIBITORS Pfizer Limited (GB) 2002-09-18 EP 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-6448278-B2 ANTISCARRING AGENT PFIZER INC. 2002-09-10 US disclosed
WO-2002050046-A1 3-OX(ADI)AZOLYLPROPANOHYDROXAMIC ACIDS USEFUL AS PROCOLLAGEN C-PROTEINASE INHIBITORS PFIZER LIMITED (GB) 2002-06-27 WO disclosed
US-20020058832-A1 Novel olefination process to itaconate and succinate derivatives PFIZER INC. 2002-05-16 US disclosed
US-20010021718-A1 Procollagen C-proteinase inhibitors PFIZER INC. 2001-09-13 US disclosed
WO-2001047901-A1 OX(ADI)AZOLYL-HYDROXAMIC ACIDS USEFUL AS PROCOLLAGEN C-PROTEINASE INHIBITORS PFIZER LIMITED (GB) 2001-07-05 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 (3 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-20010021718-A1 Procollagen C-proteinase inhibitors MMP1, CTSL, PREP PPARG 1715/4885MEN1 2045/4885GAA 1264/4885
US-20020058832-A1 Novel olefination process to itaconate and succinate derivatives HOGA1, HADHA, OGDH PPARG 960/4885MEN1 3506/4885GAA 1848/4885
US-20030119807-A1 3-Heterocyclylpropanohydroxamic acids CPA1, MMP1, PREP PPARG 842/4885MEN1 2545/4885GAA 887/4885

“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.