SCHEMBL16710085

SCHEMBL16710085

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

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 10/20 0.54
MMP2 P08253 8/20 0.54
MMP1 P03956 6/20 0.54
MMP9 P14780 6/20 0.54
MEP1B Q16820 1/20 0.45
UBE2M P61081 4/20 0.43
DCUN1D1 Q96GG9 4/20 0.43
ALDH1A1 P00352 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 1/20 0.43
ACHE P22303 1/20 0.42
PPARG P37231 1/20 0.41

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
SCHEMBL16706701 0.92 TSHR (0.44) MMP13MMP2MMP1MMP9MEP1B
SCHEMBL16706671 0.91 ACHE (0.42) MMP13MMP2MMP1MMP9MEP1B
SCHEMBL16710029 0.89 PPARG (0.51) MMP13ALDH1A1TSHRPPARG
SCHEMBL16710032 0.89 PPARG (0.51) MMP13ALDH1A1TSHRPPARG
SCHEMBL16706737 0.88 UBE2M (0.45) MMP13MMP2MMP1MMP9MEP1B
SCHEMBL16710037 0.88 NR1H4 (0.46) MMP13MMP2MMP1MMP9UBE2M
SCHEMBL16706717 0.88 FAAH (0.51) MMP13MMP2MMP1MMP9UBE2M
SCHEMBL16710099 0.87 NR1H4 (0.45) MMP13MMP2MMP1MMP9UBE2M
SCHEMBL16710051 0.87 UBE2M (0.44) MMP13MMP2MMP1MMP9UBE2M
SCHEMBL16710053 0.87 KMT2A (0.45) MMP13MMP2MMP1MMP9MEP1B

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 MMP13 4810/4885MMP2 4393/4885MMP1 4549/4885
US-20150133510-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS TNNI3, TNNT2, MYLK2 MMP13 4844/4885MMP2 4326/4885MMP1 4659/4885

“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.