SCHEMBL710753

SCHEMBL710753

CC(C)Cc1cc(B(O)O)c(C(=O)NC(C)(C)C)s1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
TSHR P16473 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
LMNA P02545 2/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31

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
SCHEMBL708244 0.71 ALDH1A1 (0.52) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL13883492 0.66 ALDH1A1 (0.40) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL25948660 0.62 ALDH1A1 (0.39) ALDH1A1HPGDTSHRL3MBTL1LMNA
SCHEMBL8244681 0.62 LMNA (0.48) ALDH1A1HPGDGAATSHRMEN1
SCHEMBL24808570 0.60 LMNA (0.43) MEN1KMT2ALMNANPC1RAB9A
SCHEMBL13670100 0.60 KMT2A (0.50) ALDH1A1HPGDKDM4ETSHRMEN1
SCHEMBL3237728 0.59 POLB (0.40) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL25564678 0.59 KMT2A (0.45) ALDH1A1HPGDKDM4EGAAKMT2A
SCHEMBL18748508 0.59 GAA (0.62) HPGDKDM4EGAAKMT2ALMNA
SCHEMBL5082925 0.58 ALDH1A1 (0.50) ALDH1A1HPGDKDM4EGAAMAPK1

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-8124638-B2 Tricyclic compounds useful as angiotensin II agonists VICORE PHARMA AB (SE) 2012-02-28 US disclosed
US-7652054-B2 Tricyclic compounds useful as angiotensin II agonists VICORE PHARMA AB (SE) 2010-01-26 US disclosed
US-20090326026-A1 Tricyclic Compounds Useful as Angiotensin II Agonists VICORE PHARMA AB 2009-12-31 US disclosed
EP-1395566-B1 TRICYCLIC COMPOUNDS USEFUL AS ANGIOTENSIN II AGONISTS VICORE PHARMA AB (SE) 2007-09-12 EP disclosed
US-20040167176-A1 Tricyclic compounds useful as angiotensin II agonists VICORE PHARMA AB (SE) 2004-08-26 US 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 (2 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-20040167176-A1 Tricyclic compounds useful as angiotensin II agonists AGTR1, AGTR2, NPY2R ALDH1A1 3595/4885HPGD 3365/4885KDM4E 3237/4885
US-20090326026-A1 Tricyclic Compounds Useful as Angiotensin II Agonists AGTR2, AGTR1, NPY4R ALDH1A1 4115/4885HPGD 3447/4885KDM4E 3883/4885

“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.