SCHEMBL3484081

SCHEMBL3484081

COC(=O)c1ccc(CC(CCc2ccc(C(=O)OC(C)(C)C)cc2)C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.50
MMP3 P08254 2/20 0.50
FOLH1 Q04609 5/20 0.48
CYP4A11 Q02928 2/20 0.46
CYP4F2 P78329 1/20 0.45
SLC7A5 Q01650 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.42
PPARG P37231 3/20 0.40
EPHX2 P34913 2/20 0.40
PPARA Q07869 1/20 0.40
ERAP2 Q6P179 1/20 0.40
LNPEP Q9UIQ6 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40

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
SCHEMBL2490447 0.91 CYP4A11 (0.54) MMP2MMP3FOLH1CYP4A11CYP4F2
SCHEMBL2160659 0.84 CYP4A11 (0.58) MMP2MMP3FOLH1CYP4A11CYP4F2
SCHEMBL8243782 0.83 MMP2 (0.47) MMP2MMP3FOLH1CYP4A11CYP4F2
SCHEMBL8235320 0.82 CYP4A11 (0.49) MMP2MMP3CYP4A11CYP4F2SLC7A5
SCHEMBL21523194 0.82 SLC7A5 (0.48) FOLH1SLC7A5PPARG
SCHEMBL8236165 0.81 CYP4A11 (0.45) MMP2MMP3CYP4A11CYP4F2SLC7A5
SCHEMBL2297709 0.81 PRSS1 (0.47) MMP2MMP3FOLH1CYP4A11CYP4F2
SCHEMBL2290447 0.81 PRSS1 (0.47) MMP2MMP3FOLH1CYP4A11CYP4F2
SCHEMBL8242478 0.81 CYP4A11 (0.44) MMP2MMP3CYP4A11CYP4F2SLC7A5
SCHEMBL3600574 0.79 FOLH1 (0.51) FOLH1CYP4A11CYP4F2LOXL2PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940769-B1 DICARBOXYLIC ACID DERIVATIVES AND THEIR USE BAYER IP GMBH (DE) 2016-08-10 EP disclosed
EP-1940769-B1 DICARBOXYLIC ACID DERIVATIVES AND THEIR USE BAYER IP GMBH (DE) 2016-08-10 EP disclosed
US-8609727-B2 Dicarboxylic acid derivatives and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-12-17 US disclosed
US-20100029772-A1 Dicarboxylic Acid Derivatives and their Use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-04 US disclosed
US-20100029772-A1 Dicarboxylic Acid Derivatives and their Use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-04 US disclosed
US-20100029772-A1 Dicarboxylic Acid Derivatives and their Use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-04 US disclosed
CN-101346338-A Dicarboxylic acid derivatives and their use BAYER HEALTHCARE AG (DE) 2009-01-14 CN 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-20100029772-A1 Dicarboxylic Acid Derivatives and their Use PC, SLC25A1, GOT2 MMP2 2586/4885MMP3 2764/4885FOLH1 1351/4885

“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.