SCHEMBL16706753

SCHEMBL16706753

COCCNC(=O)c1csc(CN(Cc2ccc(OCc3ccccc3)cc2)Cc2ccc3c(c2)OCO3)n1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 16/20 0.55
MMP2 P08253 7/20 0.55
MMP1 P03956 5/20 0.55
MMP9 P14780 5/20 0.55
TSHR P16473 1/20 0.46
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
NPC1 O15118 2/20 0.45
TP53 P04637 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45

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
SCHEMBL16710036 0.95 MMP13 (0.54) MMP13MMP2MMP1MMP9TSHR
SCHEMBL16706740 0.93 MMP13 (0.56) MMP13MMP2MMP1MMP9TSHR
SCHEMBL16706694 0.92 MMP13 (0.57) MMP13MMP2MMP1MMP9NPC1
SCHEMBL16706718 0.92 MMP13 (0.55) MMP13MMP2MMP1MMP9TSHR
SCHEMBL16706770 0.91 MMP13 (0.54) MMP13MMP2MMP1MMP9TSHR
SCHEMBL16706696 0.91 MMP13 (0.58) MMP13MMP2MMP1MMP9NPC1
SCHEMBL16706698 0.91 MMP13 (0.58) MMP13MMP2MMP1MMP9NPC1
SCHEMBL16710097 0.90 MMP13 (0.53) MMP13MMP2MMP1MMP9TSHR
SCHEMBL16706783 0.88 MMP13 (0.53) MMP13MMP2MMP1MMP9NPC1
SCHEMBL16706711 0.88 MMP13 (0.57) MMP13MMP2MMP1MMP9TSHR

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 8 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-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-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-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
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.