SCHEMBL4886701

SCHEMBL4886701

COCCNCc1ccc(SC(C)(C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
KMT2A Q03164 2/20 0.39
CHEK1 O14757 1/20 0.39
EPHX2 P34913 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
PTPN1 P18031 1/20 0.37
PTPRZ1 P23471 1/20 0.37
KDM4E B2RXH2 5/20 0.37
GAA P10253 3/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MITF O75030 1/20 0.36
NPC1 O15118 1/20 0.36
MEN1 O00255 1/20 0.36
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
TBK1 Q9UHD2 1/20 0.35
PRKD1 Q15139 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
SCHEMBL4879857 0.86 L3MBTL1 (0.47) L3MBTL1KMT2ACHEK1EPHX2NR1H4
SCHEMBL5227021 0.81 PTPRZ1 (0.38) L3MBTL1EPHX2NR1H4PTPN1PTPRZ1
SCHEMBL14026437 0.81 PYCR1 (0.43) L3MBTL1EPHX2NR1H4PTPN1PTPRZ1
SCHEMBL6785236 0.79 L3MBTL1 (0.45) L3MBTL1KMT2ACHEK1EPHX2NR1H4
SCHEMBL4882424 0.76 ATM (0.53) L3MBTL1KMT2AGAAALDH1A1MAPK1
SCHEMBL4877710 0.76 LOXL2 (0.40) EPHX2NR1H4PTPRZ1KDM4E
SCHEMBL5191785 0.75 PTPN1 (0.36) L3MBTL1PTPN1PTPRZ1KDM4EGAA
Hydrochloric Acid SCHEMBL4886040 0.75 ATM (0.52) L3MBTL1KMT2AGAAALDH1A1MAPK1
SCHEMBL14026441 0.75 MEN1 (0.42) L3MBTL1KMT2AEPHX2NR1H4PTPN1
Hydrochloric Acid SCHEMBL4927261 0.74 LOXL2 (0.39) EPHX2NR1H4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080261990-A1 Novel Pyrimidine Derivatives and their Use BAYER HEALTHCARE AG (DE) 2008-10-23 US disclosed
US-20080261990-A1 Novel Pyrimidine Derivatives and their Use BAYER HEALTHCARE AG (DE) 2008-10-23 US disclosed
US-20080255202-A1 Phenylthioacetic Acid Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2008-10-16 US disclosed
US-20080255202-A1 Phenylthioacetic Acid Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2008-10-16 US disclosed
EP-1802594-A1 NOVEL OXADIAZINONE DERIVATIVES AND USE THEREOF AS PPAR-ALPHA MODULATORS Bayer HealthCare AG (DE) 2007-07-04 EP disclosed
EP-1742942-A1 PHENYLTHIOACETIC ACID DERIVATIVES AND USE THEREOF Bayer HealthCare AG (DE) 2007-01-17 EP disclosed
WO-2006040002-A1 NOVEL OXADIAZINONE DERIVATIVES AND USE THEREOF AS PPAR-ALPHA MODULATORS BAYER HEALTHCARE AG (DE) 2006-04-20 WO disclosed
WO-2005097784-A1 PHENYLTHIOACETIC ACID DERIVATIVES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2005-10-20 WO disclosed
US-20040176445-A1 Propionic acid derivatives BAYER PHARMACEUTICALS CORPORATION 2004-09-09 US disclosed
US-6750236-B2 CARDIOVASCULAR DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 2004-06-15 US disclosed
US-20030187041-A1 Propionic acid derivatives URBAHNS KLAUS (DE) 2003-10-02 US disclosed
EP-1328508-A2 PROPIONIC ACID DERIVATIVES WITH PPAR-ALPHA ACTIVATING PROPERTIES Bayer Aktiengesellschaft (DE) 2003-07-23 EP disclosed
US-6548538-B2 Potent peroxisome proliferator activated receptor (PPAR)-alpha-activating compounds; propionic acid 2-subsituted with an N-(phenylaminocarbonylalkyl), N-(2-furanylmethyl)aminoalkylphenyl group BAYER AKTIENGESELLSCHAFT (DE) 2003-04-15 US disclosed
US-20030032671-A1 Propionic acid derivatives BAYER AKTIENGESELLSCHAFT (DE) 2003-02-13 US disclosed
WO-2002028821-A2 PROPIONIC ACID DERIVATIVES WITH PPAR-ALPHA ACTIVATING PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 2002-04-11 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 (5 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-20030187041-A1 Propionic acid derivatives PPARA, PPARD, PPARG L3MBTL1 4341/4885KMT2A 3323/4885CHEK1 4776/4885
US-20030032671-A1 Propionic acid derivatives PPARD, PPARA, PPARG L3MBTL1 4392/4885KMT2A 4215/4885CHEK1 4667/4885
US-20080255202-A1 Phenylthioacetic Acid Derivatives and Use Thereof PAH, TST, MPST L3MBTL1 1702/4885KMT2A 2353/4885CHEK1 3788/4885
US-20040176445-A1 Propionic acid derivatives PPARD, PPARA, PPARG L3MBTL1 4392/4885KMT2A 4215/4885CHEK1 4667/4885
US-20080261990-A1 Novel Pyrimidine Derivatives and their Use TYMS, TYMP, UMPS L3MBTL1 2949/4885KMT2A 2985/4885CHEK1 996/4885

“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.