SCHEMBL20211129

SCHEMBL20211129

COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)OCC(CCCCNC(=O)O)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 2/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
ITGB3 P05106 2/20 0.37
ITGA2B P08514 2/20 0.37
CTSK P43235 1/20 0.37
SUCNR1 Q9BXA5 3/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
BRD4 O60885 1/20 0.36
RET P07949 1/20 0.36
GLA P06280 1/20 0.36

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
SCHEMBL16762042 1.00 CACNA1B (0.41) CACNA1BPPARGPPARAMAPTKMT2A
SCHEMBL29627346 0.90 MAPT (0.53) MAPTITGB3ITGA2B
SCHEMBL21715297 0.90 MAPT (0.53) MAPTITGB3ITGA2B
SCHEMBL17009235 0.88 CTSK (0.48) CACNA1BPPARGPPARACTSKHDAC1
SCHEMBL20211087 0.88 CTSK (0.48) CACNA1BPPARGPPARACTSKHDAC1
SCHEMBL6123047 0.87 CACNA1B (0.43) CACNA1BPPARGPPARAITGB3ITGA2B
SCHEMBL28820385 0.86 L3MBTL1 (0.42) CACNA1BPPARGPPARAMAPTKMT2A
SCHEMBL15238498 0.86 L3MBTL1 (0.42) CACNA1BPPARGPPARAMAPTKMT2A
SCHEMBL16762203 0.83 CACNA1B (0.47) CACNA1BPPARGPPARAITGB3ITGA2B
SCHEMBL17397484 0.82 PPARA (0.40) CACNA1BPPARGPPARAKMT2AMEN1

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-20210145796-A1 METHODS FOR ADMINISTERING COMPOSITIONS INCLUDING INTEGRIN AGONISTS HAVING ANTI-TUMOR ACTIVITY 7 HILLS PHARMA INC. 2021-05-20 US claimed
US-10716849-B2 Methods of administering novel integrin activator vaccine compositions 7 Hills Pharma LLC (US) 2020-07-21 US claimed
US-10709781-B2 Integrin activator checkpoint inhibitor compositions 7 Hills Pharma LLC (US) 2020-07-14 US claimed
US-10709780-B2 Integrin activator vaccine compositions 7 Hills Pharma LLC (US) 2020-07-14 US claimed
US-20200054743-A1 NOVEL INTEGRIN ACTIVATOR CHECKPOINT INHIBITOR COMPOSITIONS 7 Hills Pharma LLC (US) 2020-02-20 US claimed
EP-2640721-B1 AGONISTS THAT ENHANCE BINDING OF INTEGRIN-EXPRESSING CELLS TO INTEGRIN RECEPTORS TEXAS HEART INST (US) 2018-06-06 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20200054743-A1 NOVEL INTEGRIN ACTIVATOR CHECKPOINT INHIBITOR COMPOSITIONS CD47, ITGA1, ITGA2B CACNA1B 3420/4885PPARG 880/4885PPARA 1037/4885
US-10709781-B2 Integrin activator checkpoint inhibitor compositions CD47, ITGA1, ITGAM CACNA1B 3112/4885PPARG 807/4885PPARA 962/4885
US-10716849-B2 Methods of administering novel integrin activator vaccine compositions ITGAM, ITGA2B, ITGA2 CACNA1B 2536/4885PPARG 1211/4885PPARA 1300/4885
US-20210145796-A1 METHODS FOR ADMINISTERING COMPOSITIONS INCLUDING INTEGRIN AGONISTS HAVING ANTI-TUMOR ACTIVITY ITGB7, ITGA1, ITGAL CACNA1B 1234/4885PPARG 874/4885PPARA 1085/4885
US-10709780-B2 Integrin activator vaccine compositions ITGAM, ITGA2B, ITGA1 CACNA1B 2014/4885PPARG 1241/4885PPARA 1588/4885

“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.