Sugi Predict

Sugi Predict / Compounds / SCHEMBL4373383

SCHEMBL4373383

SCHEMBL4373383

COc1ccccc1-c1nc(CCl)c(C)o1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 3/20 0.55
▸ TP53 P04637 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ HSD17B10 Q99714 2/20 0.51
▸ TSHR P16473 2/20 0.51
▸ HTT P42858 1/20 0.51
▸ C1R P00736 1/20 0.48
▸ ELANE P08246 2/20 0.46
▸ IKBKB O14920 1/20 0.46
▸ PPARG P37231 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ VDR P11473 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ NCOA2 Q15596 1/20 0.44
▸ NCOA1 Q15788 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ PPARD Q03181 1/20 0.43

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
SCHEMBL16256880 0.87 TP53 (0.53) TP53LMNAHSD17B10TSHRHTT
SCHEMBL27618547 0.85 TP53 (0.52) TP53LMNAHSD17B10TSHRHTT
SCHEMBL5782319 0.85 PPARG (0.46) PDE4BTP53LMNAHSD17B10TSHR
SCHEMBL11973940 0.83 TP53 (0.50) PDE4BTP53LMNAHSD17B10TSHR
SCHEMBL12163730 0.82 KDM4E (0.55) PDE4BTP53LMNAHSD17B10TSHR
SCHEMBL3981354 0.81 ALDH1A1 (0.50) TP53LMNATSHRALDH1A1MEN1
SCHEMBL1436022 0.80 MEN1 (0.53) TP53LMNAALDH1A1MEN1KMT2A
SCHEMBL4363143 0.79 POLB (0.51) TP53LMNATSHRALDH1A1MEN1
SCHEMBL12163678 0.78 PDE4B (0.54) PDE4BTP53LMNATSHRHTT
SCHEMBL4360943 0.77 PDE4B (0.49) PDE4BTP53HSD17B10TSHRHTT

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9095582-B2 Substituted aryloxazoles and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-08-04 — — US disclosed
US-9095582-B2 Substituted aryloxazoles and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-08-04 — — US disclosed
US-20140162981-A1 SUBSTITUTED ARYLOXAZOLES AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-06-12 — — US disclosed
US-20140162981-A1 SUBSTITUTED ARYLOXAZOLES AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-06-12 — — US disclosed
US-8440700-B2 Substituted aryloxazoles and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-14 — — US disclosed
US-8440700-B2 Substituted aryloxazoles and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-14 — — US disclosed
EP-2185550-B1 SUBSTITUTED ARYLOXAZOLES AND THE USE THEREOF Bayer Pharma AG (DE) 2011-11-02 — — EP disclosed
US-20110130377-A1 SUBSTITUTED ARYLOXAZOLES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-02 — — US disclosed
US-20110130377-A1 SUBSTITUTED ARYLOXAZOLES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-02 — — US disclosed
US-7629353-B2 Indol-3-yl-carbonyl-spiro-piperidine derivatives as V1a receptor antagonists HOFFMAN-LA ROCHE INC. (US) 2009-12-08 — — US disclosed
EP-1539746-A1 N-SUBSTITUTED-1H-INDOL-5-PROPIONIC ACID COMPOUNDS AS PPAR AGONISTS USEFUL FOR THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2005-06-15 — — EP disclosed
US-6890947-B2 Indolyl derivatives HOFFMANN-LA ROCHE INC. (US) 2005-05-10 — — US disclosed
US-20040116487-A1 Novel oxazole derivatives HOFFMANN-LA ROCHE INC. 2004-06-17 — — US disclosed
WO-2004031162-A1 CHIRALE OXAZOLE-ARYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-04-15 — — WO disclosed
WO-2004024726-A1 N-SUBSTITUTED-1H-INDOL-5-PROPIONIC ACID COMPOUNDS AS PPAR AGONISTS USEFUL FOR THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2004-03-25 — — WO disclosed
US-20040053979-A1 Indolyl derivatives F. HOFFMANN-LA ROCHE AG (CH) 2004-03-18 — — US disclosed
EP-1392295-A1 CARBOXYLIC ACID SUBSTITUTED OXAZOLE DERIVATIVES FOR USE AS PPAR-ALPHA AND -GAMMA ACTIVATORS IN THE TREATMENT OF DIABETES F. Hoffmann-La Roche AG (CH) 2004-03-03 — — EP disclosed
US-6642389-B2 For therapy of diabetes HOFFMANN-LA ROCHE INC. 2003-11-04 — — US disclosed
US-20030055265-A1 Oxazole derivatives HOFFMANN-LA ROCHE INC. 2003-03-20 — — US disclosed
WO-2002092084-A1 CARBOXYLIC ACID SUBSTITUTED OXAZOLE DERIVATIVES FOR USE AS PPAR-ALPHA AND -GAMMA ACTIVATORS IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2002-11-21 — — WO 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 (4 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-20040053979-A1 Indolyl derivatives UGT1A8, CYP2C8, UGT1A1 PDE4B 1249/4885TP53 1299/4885LMNA 2727/4885
US-20110130377-A1 SUBSTITUTED ARYLOXAZOLES AND THEIR USE AADAC, CYP4X1, AGXT PDE4B 2231/4885TP53 4844/4885LMNA 2430/4885
US-20030055265-A1 Oxazole derivatives PPARD, PPARA, PPARG PDE4B 416/4885TP53 3198/4885LMNA 4090/4885
US-20140162981-A1 SUBSTITUTED ARYLOXAZOLES AND THEIR USE CYP4X1, AHR, AGXT PDE4B 2744/4885TP53 4830/4885LMNA 1142/4885

“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.