Sugi Predict

Sugi Predict / Compounds / SCHEMBL13293157

SCHEMBL13293157

SCHEMBL13293157

CC(=O)CC[C@H](C)C(C)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.47
▸ CYP1A2 P05177 1/20 0.44
▸ TDP1 Q9NUW8 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ SLC15A2 Q16348 1/20 0.39
▸ CHRM1 P11229 1/20 0.35
▸ CA1 P00915 2/20 0.35
▸ GABRP O00591 2/20 0.33
▸ GABRD O14764 2/20 0.33
▸ GABRA1 P14867 2/20 0.33
▸ GABRB1 P18505 2/20 0.33
▸ GABRG2 P18507 2/20 0.33
▸ GABRB3 P28472 2/20 0.33
▸ GABRA5 P31644 2/20 0.33
▸ GABRA3 P34903 2/20 0.33
▸ GABRA2 P47869 2/20 0.33
▸ GABRB2 P47870 2/20 0.33
▸ GABRA4 P48169 2/20 0.33
▸ GABRE P78334 2/20 0.33
▸ GABRA6 Q16445 2/20 0.33

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
SCHEMBL17953993 1.00 ALDH1A1 (0.47) ALDH1A1CYP1A2TDP1LMNASLC15A2
SCHEMBL10188903 1.00 ALDH1A1 (0.47) ALDH1A1CYP1A2TDP1LMNASLC15A2
SCHEMBL9547901 0.84 ALDH1A1 (0.43) ALDH1A1CYP1A2TDP1LMNASLC15A2
SCHEMBL15933413 0.82 PAOX (0.44) ALDH1A1CYP1A2TDP1LMNASLC15A2
SCHEMBL13410354 0.82 GABRR1 (0.46) ALDH1A1CYP1A2TDP1CHRM1CA1
SCHEMBL14197461 0.81 CYP1A2 (0.68) CYP1A2LMNASLC15A2GABRPGABRD
SCHEMBL12040134 0.81 CYP1A2 (0.68) ALDH1A1CYP1A2TDP1LMNASLC15A2
SCHEMBL2344610 0.81 CYP1A2 (0.68) CYP1A2LMNASLC15A2GABRPGABRD
SCHEMBL2352613 0.81 CYP1A2 (0.68) ALDH1A1CYP1A2TDP1LMNASLC15A2
SCHEMBL12658700 0.81 CYP1A2 (0.68) CYP1A2LMNASLC15A2GABRPGABRD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160122383-A1 Peptide Ligation THE UNIVERSITY OF SYDNEY (AU) 2016-05-05 — — US disclosed
US-20100152452-A1 STEREOSELECTIVE SYNTHESIS OF PIPERIDINE DERIVATIVES TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2010-06-17 — — US disclosed
EP-2123665-A2 Inhibitors of interleukin-1Beta converting enzyme Vertex Pharmaceuticals Incorporated (US) 2009-11-25 — — EP disclosed
EP-2083014-A2 Inhibitors of interleukin-1ß converting enzyme Vertex Pharmceuticals Incorporated (US) 2009-07-29 — — EP disclosed
US-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 — — 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 (3 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-20100152452-A1 STEREOSELECTIVE SYNTHESIS OF PIPERIDINE DERIVATIVES DHPS, AZI2, DPYD ALDH1A1 28/4885CYP1A2 438/4885TDP1 3939/4885
US-20160122383-A1 Peptide Ligation PTMS, PTMA, QPCTL ALDH1A1 1339/4885CYP1A2 4765/4885TDP1 4691/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 ALDH1A1 991/4885CYP1A2 4799/4885TDP1 1018/4885

“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.