SCHEMBL5428004

SCHEMBL5428004

CCCOCCCCCCO[C]=O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.40
MEN1 O00255 1/20 0.40
THRB P10828 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.40
CES2 O00748 2/20 0.38
USP2 O75604 1/20 0.35
TSHR P16473 2/20 0.34
CYP3A4 P08684 1/20 0.34
EPHX2 P34913 3/20 0.33
SPHK2 Q9NRA0 1/20 0.33
LPAR5 Q9H1C0 1/20 0.33
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ZDHHC20 Q5W0Z9 1/20 0.31
CES1 P23141 1/20 0.31
LPAR1 Q92633 1/20 0.30
LPAR3 Q9UBY5 1/20 0.30

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
SCHEMBL7254832 1.00 HTT (0.40) HTTMEN1THRBKMT2AMAPT
SCHEMBL7249037 0.98 HTT (0.37) HTTMEN1THRBKMT2AMAPT
SCHEMBL7249020 0.93 TSHR (0.36) HTTMEN1THRBKMT2AMAPT
SCHEMBL7252397 0.91 MEN1 (0.45) HTTMEN1THRBKMT2AMAPT
SCHEMBL7249899 0.91 MEN1 (0.45) HTTMEN1THRBKMT2AMAPT
SCHEMBL7209213 0.89 MEN1 (0.48) HTTMEN1THRBKMT2AMAPT
SCHEMBL7248312 0.88 TSHR (0.46) HTTMEN1THRBKMT2AMAPT
SCHEMBL5544295 0.84 MEN1 (0.54) HTTMEN1THRBKMT2AMAPT
SCHEMBL8362606 0.84 MEN1 (0.54) HTTMEN1THRBKMT2AMAPT
SCHEMBL5482902 0.84 MEN1 (0.54) HTTMEN1THRBKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354439-B2 Agent for inhibition of cytokine production and agent for inhibition of cell adhesion OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-15 US disclosed
US-20070238758-A1 Agent for inhibition of cytokine production and agent for inhibition of cell adhesion OTSUKA PHARMACEUTICAL CO., LTD. 2007-10-11 US disclosed
US-20070105911-A1 Agent for inhibition of cytokine production and agent for inhibition of cell adhesion CHIHIRO MASATOSHI 2007-05-10 US disclosed
EP-1130017-B1 Azole derivatives and their use as superoxide radical inhibitors OTSUKA PHARMA CO LTD (JP) 2005-06-15 EP disclosed
EP-0957915-B1 THIAZOLE DERIVATIVES FOR INHIBITION OF CYTOKINE PRODUCTION AND OF CELL ADHESION OTSUKA PHARMA CO LTD (JP) 2005-02-02 EP disclosed
US-20040014792-A1 Agent for inhibition of cytokine production and agent for inhibition of cell adhesion OTSUKA PHARMACEUTICAL CO. LTD. 2004-01-22 US disclosed
US-6602825-B1 Cyclization of an isocyanate with a thiourea and carbonic acid BASF AKTIENGESELLSCHAFT (DE) 2003-08-05 US disclosed
US-6583163-B2 Using thiazole derivative OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2003-06-24 US disclosed
EP-0934937-B1 Azole derivatives as superoxide radical inhibitor OTSUKA PHARMA CO LTD (JP) 2002-02-27 EP disclosed
US-RE37556-E1 (ALKOXYPHENYL)THIAZOLE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2002-02-19 US disclosed
US-6291487-B1 THIAZOLES SUBSTITUTED WITH A PHENYL AND A PYRIDYL GROUP OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2001-09-18 US disclosed
EP-1130017-A2 Azole derivatives and their use as superoxide radical inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2001-09-05 EP disclosed
WO-2000050409-A1 1-ARYL-1,3,5-TRIAZINE-4-THIONE-2,6-DIONES, PRODUCTION THEREOF AND USE THEREOF AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2000-08-31 WO disclosed
US-6080764-A PROTECTING VARIOUS TISSUE CELLS FROM DISTURBANCES ASSOCIATED WITH ISCHEMIA AND BLOOD REPERFUSION IN HEART, BRAIN, KIDNEY, LUNG AND DIGESTIVE TRACT BY INHIBITING SUPEROXIDE-RELEASE BY NEUTROPHILIC LEUKOCYTES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2000-06-27 US disclosed
EP-0957915-A1 AGENT FOR INHIBITION OF CYTOKINE PRODUCTION AND AGENT FOR INHIBITION OF CELL ADHESION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1999-11-24 EP disclosed
EP-0934937-A1 Azole derivatives as superoxide radical inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1999-08-11 EP disclosed
WO-1998014191-A1 AGENT FOR INHIBITION OF CYTOKINE PRODUCTION AND AGENT FOR INHIBITION OF CELL ADHESION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-04-09 WO disclosed
US-5677319-A THIAZOLE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-10-14 US disclosed
US-5643932-A PREVENTS CELL DAMAGE AFTER ISCHEMIA AND RE-PERFUSION, SUBSTITUTED THIAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-07-01 US disclosed
EP-0513387-A1 ACTIVE OXYGEN INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-19 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 (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-20070238758-A1 Agent for inhibition of cytokine production and agent for inhibition of cell adhesion IL2, IL1RN, SELL HTT 4797/4885MEN1 2680/4885THRB 726/4885
US-20040014792-A1 Agent for inhibition of cytokine production and agent for inhibition of cell adhesion IL2, SELL, IL1RN HTT 4796/4885MEN1 2789/4885THRB 753/4885
US-20070105911-A1 Agent for inhibition of cytokine production and agent for inhibition of cell adhesion IL2, IL1RN, SELL HTT 4799/4885MEN1 2638/4885THRB 733/4885

“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.