Sugi Predict

Sugi Predict / Compounds / SCHEMBL15919398

SCHEMBL15919398

SCHEMBL15919398

CCOC(=O)CCCOc1ccc(-c2ccc(-c3cc(N4C(=O)CNC4=S)c4cnccc4n3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 2/20 0.41
▸ PDE3A Q14432 2/20 0.41
▸ P2RY12 Q9H244 1/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ RAB9A P51151 7/20 0.39
▸ NPC1 O15118 5/20 0.39
▸ PKM P14618 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ LMNA P02545 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ USP2 O75604 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
SCHEMBL15905108 0.93 PDE3B (0.42) PDE3BPDE3AP2RY12RAB9ANPC1
SCHEMBL15919392 0.90 LTB4R (0.38) PDE3BPDE3AP2RY12MEN1POLB
SCHEMBL15919391 0.88 HDAC1 (0.44) BRD4
SCHEMBL15919358 0.87 XDH (0.43) PDE3BPDE3AP2RY12MEN1POLB
Hydrochloric Acid SCHEMBL15905167 0.86 XDH (0.43) PDE3BPDE3AP2RY12MEN1POLB
SCHEMBL15919394 0.83 FFAR4 (0.39) PDE3BPDE3AP2RY12PLA2G2APDE10A
SCHEMBL15905031 0.82 XDH (0.39) PDE3BPDE3AP2RY12MEN1POLB
SCHEMBL15919390 0.80 HDAC1 (0.44) BRD4
SCHEMBL15905073 0.79 XDH (0.45) PDE3BPDE3AP2RY12PLA2G2APDE10A
SCHEMBL15905555 0.78 MEN1 (0.41) MEN1POLBRECQLKMT2ARAB9A

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 9 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 claimed
US-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals (NC), Inc. 2015-12-10 — — US claimed
US-9663488-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2017-05-30 — — US disclosed
US-9663488-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2017-05-30 — — US disclosed
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
US-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals (NC), Inc. 2015-12-10 — — US disclosed
US-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals (NC), Inc. 2015-12-10 — — US 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 PDE3B 2232/4885PDE3A 3019/4885P2RY12 3732/4885

“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.