SCHEMBL15904308

SCHEMBL15904308

[C]#Cc1c(F)cc(C(=O)N2CCCCC2C(=O)O)cc1F

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ CA2 P00918 1/20 0.44
▸ THRB P10828 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ GYS1 P13807 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL15904535 0.84 TDP1 (0.51) TDP1L3MBTL1ALDH1A1CA2GYS1
SCHEMBL15904060 0.84 TDP1 (0.51) TDP1L3MBTL1ALDH1A1CA2GYS1
SCHEMBL15904694 0.84 TDP1 (0.51) TDP1L3MBTL1ALDH1A1CA2GYS1
SCHEMBL15904255 0.80 CA2 (0.51) TDP1L3MBTL1ALDH1A1CA2THRB
SCHEMBL15904256 0.80 CA2 (0.51) TDP1L3MBTL1ALDH1A1CA2THRB
SCHEMBL15904137 0.78 POLB (0.43) TDP1L3MBTL1ALDH1A1CA2THRB
SCHEMBL15904138 0.77 TDP1 (0.61) TDP1L3MBTL1ALDH1A1CA2NPSR1
SCHEMBL15904020 0.77 TDP1 (0.43) TDP1L3MBTL1ALDH1A1CA2THRB
SCHEMBL3706606 0.75 TDP1 (0.65) TDP1L3MBTL1ALDH1A1CA2THRB
SCHEMBL3706608 0.75 TDP1 (0.65) TDP1L3MBTL1ALDH1A1CA2THRB

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-9663488-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2017-05-30 — — US disclosed
US-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals (NC), Inc. 2015-12-10 — — US disclosed
EP-2948450-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals, Inc. (US) 2015-12-02 — — EP disclosed
WO-2014117090-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2014-07-31 — — 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 (1 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-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO TDP1 1723/4885L3MBTL1 1568/4885ALDH1A1 289/4885

“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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