Sugi Predict

Sugi Predict / Compounds / SCHEMBL12409662

SCHEMBL12409662

SCHEMBL12409662

COC[C@@H]1CCC(=O)N1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 3/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ PDCD1LG2 Q9BQ51 1/20 0.34
▸ CD274 Q9NZQ7 1/20 0.34
▸ SRD5A1 P18405 4/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ THPO P40225 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ HDAC8 Q9BY41 2/20 0.32
▸ HDAC6 Q9UBN7 2/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ CASP3 P42574 1/20 0.32
▸ CASP7 P55210 1/20 0.32
▸ P2RX7 Q99572 1/20 0.31

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
SCHEMBL7287818 1.00 PDK2 (0.39) PDK2IRAK4PDCD1LG2CD274SRD5A1
SCHEMBL5992485 0.89 HDAC8 (0.36) PDK2HDAC8HDAC6HDAC1CASP3
SCHEMBL20200112 0.89 HDAC8 (0.36) PDK2HDAC8HDAC6HDAC1CASP3
SCHEMBL12301044 0.89 PDK2 (0.33) PDK2IRAK4SRD5A1HDAC8HDAC6
SCHEMBL29306472 0.81 PDK2 (0.38) PDK2IRAK4PDCD1LG2CD274SRD5A1
SCHEMBL24272924 0.79 IRAK4 (0.41) PDK2IRAK4PDCD1LG2CD274SRD5A1
SCHEMBL1587463 0.79 PDK2 (0.37) PDK2IRAK4PDCD1LG2CD274SRD5A1
SCHEMBL22062969 0.79 PDK2 (0.39) PDK2IRAK4PDCD1LG2CD274SRD5A1
SCHEMBL22062962 0.79 PDK2 (0.39) PDK2IRAK4PDCD1LG2CD274SRD5A1
SCHEMBL31309712 0.79 PDK2 (0.37) PDK2IRAK4PDCD1LG2CD274SRD5A1

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-8921573-B2 Processes for the preparation of novel benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2014-12-30 — — US disclosed
US-20140316143-A1 PROCESSES FOR THE PREPARATION OF NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2014-10-23 — — US disclosed
US-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-07-07 — — US disclosed
US-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-07-07 — — 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 (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-20140316143-A1 PROCESSES FOR THE PREPARATION OF NOVEL BENZIMIDAZOLE DERIVATIVES MAVS, HAVCR2, EIF2AK2 PDK2 574/4885IRAK4 2229/4885PDCD1LG2 3742/4885
US-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE PDE10A, PDE3A, PDE3B PDK2 2803/4885IRAK4 2768/4885PDCD1LG2 4541/4885

“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.