SCHEMBL8240679

SCHEMBL8240679

C=CCOC(=O)C(Cc1ccc(C(=O)OC(C)(C)C)cc1)C(=O)OCC=C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
SNCA P37840 1/20 0.39
SLC7A5 Q01650 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CYP3A4 P08684 2/20 0.38
THRB P10828 2/20 0.35
THRA P10827 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HIF1A Q16665 1/20 0.35

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
SCHEMBL2296334 0.85 LOXL2 (0.47) ADRB2ADRB1ADRB3SNCACA12
SCHEMBL26427155 0.81 ADRB2 (0.36) ADRB2ADRB1ADRB3SNCASLC7A5
SCHEMBL2690871 0.80 LDHA (0.53) SLC7A5CA12CA1CA2CA9
SCHEMBL8233433 0.78 LOXL2 (0.43) ADRB2ADRB1ADRB3SNCACA12
SCHEMBL20168666 0.77 SLC7A5 (0.38) ADRB2ADRB1ADRB3SLC7A5CA12
SCHEMBL20179138 0.77 SLC7A5 (0.38) ADRB2ADRB1ADRB3SLC7A5CA12
SCHEMBL21578054 0.76 SLC7A5 (0.39) ADRB2ADRB1ADRB3SLC7A5CA12
SCHEMBL23710398 0.76 TSHR (0.46) ADRB2ADRB1ADRB3SNCATHRB
SCHEMBL18873609 0.75 TSHR (0.40) ADRB2ADRB1ADRB3SLC7A5CA12
SCHEMBL15828913 0.75 SLC7A5 (0.47) ADRB3SLC7A5CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168821-B2 Cyclopropylacetic acid derivatives and use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-01 US disclosed
US-8168821-B2 Cyclopropylacetic acid derivatives and use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-01 US disclosed
US-20090286882-A1 Cyclopropylacetic Acid Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2009-11-19 US disclosed
US-20090286882-A1 Cyclopropylacetic Acid Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2009-11-19 US disclosed
CN-101346339-A Cyclopropylacetic acid derivatives and use thereof BAYER HEALTHCARE AG (DE) 2009-01-14 CN disclosed
WO-2007045367-A1 CYCLOPROPYLACETIC ACID DERIVATIVES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2007-04-26 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 (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-20090286882-A1 Cyclopropylacetic Acid Derivatives and Use Thereof PCCA, PPP2CA, HMGCR ADRB2 417/4885ADRB1 343/4885ADRB3 146/4885

“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.