SCHEMBL5404169

SCHEMBL5404169

CC(C)(C)OC(=O)C/C(=C\CCc1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.51
TRPV1 Q8NER1 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
ATM Q13315 1/20 0.40
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
AKT1 P31749 2/20 0.39
POLB P06746 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL5404174 1.00 GRIK1 (0.51) GRIK1TRPV1CA12CA1CA7
SCHEMBL6137306 0.83 MMP2 (0.42) GRIK1
SCHEMBL6137308 0.83 MMP2 (0.42) GRIK1
SCHEMBL6833386 0.82 MMP2 (0.41) GRIK1
SCHEMBL6833383 0.82 MMP2 (0.41) GRIK1
SCHEMBL1915710 0.77 CYP3A4 (0.50) CA12CA1CA7CA14ATM
SCHEMBL1915707 0.77 CYP3A4 (0.50) CA12CA1CA7CA14ATM
SCHEMBL1915706 0.77 CYP3A4 (0.50) CA12CA1CA7CA14ATM
SCHEMBL6058619 0.76 GRIN2B (0.44) GRIK1CA12CA1CA7CA14
SCHEMBL6058625 0.76 GRIN2B (0.44) GRIK1CA12CA1CA7CA14

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 40 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
EP-1199301-B1 Olefination process to itaconate and succinate derivatives PFIZER LTD (GB) 2005-06-08 EP disclosed
US-6897306-B2 3-heterocyclylpropanohydroxamic acids PFIZER PRODUCTS, INC. (US) 2005-05-24 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-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
CN-1349971-A Olfination method of itaconic acid and succinic acid derivatives PFIZER (US) 2002-05-22 CN disclosed
US-20020058832-A1 Novel olefination process to itaconate and succinate derivatives PFIZER INC. 2002-05-16 US disclosed
EP-1199301-A1 Olefination process to itaconate and succinate derivatives Pfizer Limited (GB) 2002-04-24 EP 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 GRIK1 4615/4885TRPV1 2823/4885CA12 820/4885
US-20020058832-A1 Novel olefination process to itaconate and succinate derivatives HOGA1, HADHA, OGDH GRIK1 2395/4885TRPV1 2784/4885CA12 1606/4885
US-20030119807-A1 3-Heterocyclylpropanohydroxamic acids CPA1, MMP1, PREP GRIK1 4359/4885TRPV1 1944/4885CA12 612/4885

“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.