Sugi Predict

Sugi Predict / Compounds / SCHEMBL1178034

SCHEMBL1178034

SCHEMBL1178034

CC(C)(C)OC(=O)C1(Cc2cccc(NC(=O)[C@H](c3ccc(CN4Cc5ccccc5C4=O)cc3)C3CCCC3)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 1/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ MAPT P10636 4/20 0.37
▸ LMNA P02545 3/20 0.37
▸ HTR1E P28566 3/20 0.37
▸ S1PR3 Q99500 3/20 0.37
▸ THRB P10828 2/20 0.37
▸ ACHE P22303 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ PLA2G1B P04054 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ ATG4B Q9Y4P1 1/20 0.36
▸ USP30 Q70CQ3 1/20 0.35
▸ ACKR3 P25106 1/20 0.35
▸ NPY1R P25929 1/20 0.35

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
SCHEMBL1178149 1.00 PTGES (0.38) PTGESMEN1KMT2AMAPTLMNA
SCHEMBL1178496 0.91 PTGES (0.37) PTGESMEN1KMT2AMAPTLMNA
SCHEMBL12872196 0.90 MAPT (0.44) PTGESMEN1KMT2AMAPTLMNA
SCHEMBL3704665 0.90 MAPT (0.44) PTGESMEN1KMT2AMAPTLMNA
SCHEMBL1177805 0.90 PTGES (0.37) PTGESMEN1KMT2AMAPTLMNA
SCHEMBL12872086 0.90 PTGES (0.37) PTGESMEN1KMT2AMAPTLMNA
SCHEMBL12872087 0.90 PTGES (0.37) PTGESMEN1KMT2AMAPTLMNA
SCHEMBL7602940 0.88 MAPT (0.42) PTGESMEN1KMT2AMAPTLMNA
SCHEMBL1178109 0.86 PTGES (0.39) PTGESMEN1KMT2AMAPTLMNA
SCHEMBL12872085 0.85 THRB (0.39) MEN1KMT2AMAPTLMNATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8987256-B2 Oxo-heterocyclic substituted carboxylic acid derivatives and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-24 — — US disclosed
US-8987256-B2 Oxo-heterocyclic substituted carboxylic acid derivatives and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-24 — — US disclosed
US-8987256-B2 Oxo-heterocyclic substituted carboxylic acid derivatives and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-24 — — US disclosed
US-20110034450-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIEGESELLSCHAFT (DE) 2011-02-10 — — US disclosed
US-20110034450-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIEGESELLSCHAFT (DE) 2011-02-10 — — US disclosed
US-20110034450-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIEGESELLSCHAFT (DE) 2011-02-10 — — 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 (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-20110034450-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF OTC, PC, HCAR2 PTGES 224/4885MEN1 3585/4885KMT2A 2766/4885

“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.