SCHEMBL21426945

SCHEMBL21426945

Cc1ccc(-c2ccc(S(=O)(=O)Nc3cnc(C)s3)s2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PFKFB3 Q16875 5/20 0.48
▸ PFKFB4 Q16877 2/20 0.48
▸ EDNRB P24530 1/20 0.46
▸ EDNRA P25101 1/20 0.46
▸ MAPT P10636 3/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ MMP2 P08253 2/20 0.42
▸ MMP9 P14780 2/20 0.42
▸ GHSR Q92847 1/20 0.41
▸ TP53 P04637 3/20 0.40
▸ DRD2 P14416 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ HTR6 P50406 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ S1PR4 O95977 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ HPGD P15428 1/20 0.38

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
SCHEMBL21426944 0.77 PFKFB3 (0.52) PFKFB3PFKFB4EDNRBEDNRAMAPT
SCHEMBL21427082 0.75 PFKFB3 (0.45) PFKFB3PFKFB4EDNRBEDNRAMAPT
SCHEMBL4631538 0.73 EDNRA (0.83) EDNRBEDNRA
SCHEMBL28291689 0.72 MMP2 (0.46) PFKFB3PFKFB4EDNRBEDNRAMAPT
SCHEMBL4632351 0.70 EDNRB (0.56) PFKFB3PFKFB4EDNRBEDNRAMAPT
SCHEMBL14569173 0.70 PTGS2 (0.43) PFKFB3PFKFB4KMT2AMMP2MMP9
SCHEMBL3254332 0.69 MMP2 (0.42) PFKFB3PFKFB4EDNRBEDNRAKMT2A
SCHEMBL13743183 0.69 CA2 (0.56) PFKFB3PFKFB4MMP2MMP9
SCHEMBL7549393 0.69 MMP2 (0.42) PFKFB3PFKFB4EDNRBEDNRAKMT2A
SCHEMBL14415019 0.68 HCAR2 (0.38) ALDH1A1LMNAHPGDALOX15HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210077562-A1 ETBR ANTAGONIST COMPOUNDS, COMPOSITIONS, AND USES ENB THERAPEUTICS, INC. 2021-03-18 — — US disclosed
US-20190314444-A1 ETBR ANTAGONIST COMPOUNDS, COMPOSITIONS, AND USES ENB THERAPEUTICS, INC. 2019-10-17 — — US disclosed
WO-2019191721-A1 ETBR ANTAGONIST COMPOUNDS, COMPOSITIONS, AND USES ENB THERAPEUTICS, INC. (US) 2019-10-03 — — WO 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-20190314444-A1 ETBR ANTAGONIST COMPOUNDS, COMPOSITIONS, AND USES EDNRB, EDNRA, LTB4R PFKFB3 3747/4885PFKFB4 3617/4885EDNRB 1/4885
US-20210077562-A1 ETBR ANTAGONIST COMPOUNDS, COMPOSITIONS, AND USES EDNRB, EDNRA, LTB4R PFKFB3 3747/4885PFKFB4 3617/4885EDNRB 1/4885

“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.

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