Sugi Predict

Sugi Predict / Compounds / SCHEMBL2411601

SCHEMBL2411601

SCHEMBL2411601

CC(C)(Sc1nc(CCNc2cnc(-c3ccc(OC(F)(F)F)cc3)cn2)cs1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.42
▸ SHMT2 P34897 1/20 0.38
▸ HDAC3 O15379 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC10 Q969S8 1/20 0.37
▸ HDAC11 Q96DB2 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ HDAC9 Q9UKV0 1/20 0.37
▸ HDAC5 Q9UQL6 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.36
▸ DGAT1 O75907 1/20 0.35
▸ GRIN2B Q13224 1/20 0.35
▸ PPARA Q07869 4/20 0.34
▸ PPARD Q03181 4/20 0.34
▸ TP53 P04637 3/20 0.34
▸ LMNA P02545 1/20 0.34

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
SCHEMBL2411576 0.92 CYP1A2 (0.43) CYP1A2SHMT2HDAC3HDAC4HDAC1
SCHEMBL12273613 0.90 SHMT2 (0.39) SHMT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL2410184 0.89 SHMT2 (0.41) SHMT2HDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL2411041 0.89 SHMT2 (0.39) SHMT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL2411257 0.89 POLB (0.40) PPARATP53LMNAMAPT
SCHEMBL2412902 0.87 SHMT2 (0.39) SHMT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL2412602 0.87 TP53 (0.40) PPARATP53LMNAMAPT
SCHEMBL12274148 0.86 SHMT2 (0.43) SHMT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL2414584 0.85 SHMT2 (0.40) SHMT2HDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL2416446 0.85 SHMT2 (0.42) SHMT2HDAC3HDAC4HDAC1HDAC7

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-8026370-B2 Peroxisome proliferator antagonist; hyperlipemia agents; arteriosclerosis; antiischemic agents MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-09-27 — — US disclosed
US-8026370-B2 Peroxisome proliferator antagonist; hyperlipemia agents; arteriosclerosis; antiischemic agents MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-09-27 — — US disclosed
US-8026370-B2 Peroxisome proliferator antagonist; hyperlipemia agents; arteriosclerosis; antiischemic agents MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-09-27 — — US disclosed
US-20080167307-A1 Carboxylic Acid Derivative Containing Thiazole Ring and Pharmaceutical Use Thereof MITSUBISHI PHAMA CORPORATION (JP) 2008-07-10 — — US disclosed
US-20080167307-A1 Carboxylic Acid Derivative Containing Thiazole Ring and Pharmaceutical Use Thereof MITSUBISHI PHAMA CORPORATION (JP) 2008-07-10 — — US disclosed
EP-1816128-A1 CARBOXYLIC ACID DERIVATIVE CONTAINING THIAZOLE RING AND PHARMACEUTICAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2007-08-08 — — EP 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-20080167307-A1 Carboxylic Acid Derivative Containing Thiazole Ring and Pharmaceutical Use Thereof PPARA, PPARD, PPARG CYP1A2 252/4885SHMT2 865/4885HDAC3 210/4885

“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.