SCHEMBL14712040

SCHEMBL14712040

COC(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)c2c1CCC2

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.33
DGAT1 O75907 1/20 0.32
NLRP3 Q96P20 1/20 0.32
CXCR2 P25025 1/20 0.32
UCHL1 P09936 1/20 0.32
KDM4E B2RXH2 4/20 0.31
ALDH1A1 P00352 3/20 0.31
GLA P06280 2/20 0.31
GAA P10253 1/20 0.31
APP P05067 1/20 0.31
P2RX7 Q99572 1/20 0.31
HPGD P15428 3/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30

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
SCHEMBL15897510 0.77 KDM4E (0.41) ROCK1DGAT1CXCR2UCHL1KDM4E
SCHEMBL29973532 0.76 KDM4E (0.42) ROCK1DGAT1CXCR2UCHL1KDM4E
SCHEMBL14656987 0.76 KDM4E (0.42) ROCK1DGAT1CXCR2UCHL1KDM4E
SCHEMBL14712035 0.76 LMNA (0.40) NLRP3KDM4EALDH1A1GLAGAA
SCHEMBL20993476 0.75 ALDH1A1 (0.38) DGAT1UCHL1KDM4EALDH1A1GAA
SCHEMBL26768744 0.74 ALDH1A1 (0.47) CXCR2UCHL1KDM4EALDH1A1HPGD
SCHEMBL29853699 0.74 ALDH1A1 (0.47) CXCR2UCHL1KDM4EALDH1A1HPGD
SCHEMBL14712036 0.74 ALDH1A1 (0.43) NLRP3KDM4EALDH1A1GLAGAA
SCHEMBL13816535 0.74 CYP3A4 (0.40) DGAT1UCHL1KDM4EALDH1A1GLA
SCHEMBL12033501 0.73 P2RX7 (0.35) CXCR2KDM4EALDH1A1GAAP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
US-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 US disclosed
WO-2013025733-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-02-21 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-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 ROCK1 1820/4885DGAT1 371/4885NLRP3 1463/4885

“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.