Sugi Predict

Sugi Predict / Compounds / SCHEMBL8745747

SCHEMBL8745747

SCHEMBL8745747

[O-][n+]1cccc2cc(OC3CC3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 4/20 0.41
▸ IKBKB O14920 1/20 0.35
▸ FPR2 P25090 2/20 0.34
▸ PROKR1 Q8TCW9 2/20 0.34
▸ ACSL1 P33121 2/20 0.34
▸ ROCK1 Q13464 6/20 0.33
▸ ROCK2 O75116 2/20 0.33
▸ PRKACA P17612 1/20 0.33
▸ PRKCD Q05655 1/20 0.33
▸ PRKG1 Q13976 1/20 0.33
▸ PKN1 Q16512 1/20 0.33
▸ PKN2 Q16513 1/20 0.33
▸ AAK1 Q2M2I8 1/20 0.33
▸ CDC42BPA Q5VT25 1/20 0.33
▸ Q6ZSR9 Q6ZSR9 1/20 0.33
▸ BMP2K Q9NSY1 1/20 0.33
▸ CDC42BPB Q9Y5S2 1/20 0.33
▸ DDB1 Q16531 1/20 0.32
▸ CRBN Q96SW2 1/20 0.32
▸ CCR2 P41597 1/20 0.32

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
SCHEMBL15550130 0.89 CCR4 (0.38) ACHEFPR2PROKR1ACSL1ROCK1
SCHEMBL2444142 0.89 ACHE (0.37) ACHEFPR2PROKR1ACSL1
SCHEMBL15550128 0.89 CCR4 (0.38) ACHEFPR2PROKR1ACSL1ROCK1
SCHEMBL2444140 0.89 ACHE (0.37) ACHEFPR2PROKR1ACSL1
SCHEMBL18887388 0.81 ACHE (0.41) ACHEIKBKBFPR2PROKR1ACSL1
SCHEMBL18274616 0.81 PDE10A (0.40) ATM
SCHEMBL18274615 0.81 PDE10A (0.40) ATM
SCHEMBL1289697 0.77 ACHE (0.67) ACHE
SCHEMBL30477858 0.74 CYP1A2 (0.50) IKBKBFPR2PROKR1DDB1CRBN
SCHEMBL16902878 0.74 CYP1A2 (0.50) IKBKBFPR2PROKR1DDB1CRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180221364-A1 METALLOENZYME INHIBITOR COMPOUNDS INNOCRIN PHARMACEUTICALS, INC. 2018-08-09 — — US disclosed
US-20170143694-A1 METALLOENZYME INHIBITOR COMPOUNDS INNOCRIN PHARMACEUTICALS, INC. 2017-05-25 — — US disclosed
US-20140121248-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2014-05-01 — — US disclosed
US-8623892-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2014-01-07 — — US disclosed
US-20130184309-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2013-07-18 — — US disclosed
US-8389543-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2013-03-05 — — US disclosed
US-20120129886-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-05-24 — — 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 (5 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-20140121248-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO ACHE 101/4885IKBKB 1771/4885FPR2 2862/4885
US-20180221364-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO ACHE 101/4885IKBKB 1771/4885FPR2 2862/4885
US-20130184309-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO ACHE 101/4885IKBKB 1771/4885FPR2 2862/4885
US-20170143694-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO ACHE 101/4885IKBKB 1771/4885FPR2 2862/4885
US-20120129886-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO ACHE 101/4885IKBKB 1771/4885FPR2 2862/4885

“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.