SCHEMBL16710032

SCHEMBL16710032

O=C(NCc1ccc2c(c1)OCO2)c1csc(CN(Cc2cccc(C(F)(F)F)c2)Cc2ccc3c(c2)OCO3)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.51
LMNA P02545 2/20 0.49
TSHR P16473 2/20 0.49
HTT P42858 1/20 0.49
HPGD P15428 4/20 0.49
MAPK1 P28482 2/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MMP13 P45452 1/20 0.46
FAAH O00519 2/20 0.45
DHFR P00374 1/20 0.45
HRH4 Q9H3N8 1/20 0.44
ALDH2 P05091 1/20 0.44
MAPT P10636 1/20 0.44
AURKA O14965 1/20 0.44
TP53 P04637 1/20 0.43
CRHBP P24387 1/20 0.43
RECQL P46063 1/20 0.43
CRHR2 Q13324 1/20 0.43

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
SCHEMBL16710029 1.00 PPARG (0.51) PPARGLMNATSHRHTTHPGD
SCHEMBL16710124 0.95 PPARG (0.51) PPARGLMNATSHRHTTHPGD
SCHEMBL16710047 0.95 HPGD (0.47) PPARGLMNATSHRHTTHPGD
SCHEMBL18427092 0.95 PPARG (0.47) PPARGLMNATSHRHTTHPGD
SCHEMBL16710031 0.93 SMN1; SMN2 (0.49) PPARGLMNATSHRHTTHPGD
SCHEMBL16710039 0.93 ALDH1A1 (0.51) PPARGLMNATSHRHTTHPGD
SCHEMBL16710041 0.92 ALDH1A1 (0.49) PPARGLMNATSHRHTTHPGD
SCHEMBL16706754 0.91 MMP13 (0.55) PPARGLMNATSHRHTTHPGD
SCHEMBL16710026 0.91 NPC1 (0.45) PPARGLMNATSHRHTTHPGD
SCHEMBL16710030 0.91 FAAH (0.46) PPARGLMNATSHRHTTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9951033-B2 Tertiary amines for use in the treatment of cardiac disorders UNIVERSITETET I OSLO (NO) 2018-04-24 US disclosed
US-20170158657-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS UNIVERSITETET I OSLO (NO) 2017-06-08 US disclosed
US-9556111-B2 Tertiary amines for use in the treatment of cardiac disorders UNIVERSITETET I OSLO (NO) 2017-01-31 US disclosed
US-20150133510-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS UNIVERSITETET I OSLO (NO) 2015-05-14 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-20170158657-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS TNNI3, TNNT2, MYLK2 PPARG 2922/4885LMNA 280/4885TSHR 2005/4885
US-20150133510-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS TNNI3, TNNT2, MYLK2 PPARG 3022/4885LMNA 214/4885TSHR 2085/4885

“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.