SCHEMBL3603475

SCHEMBL3603475

CC(COc1ccc(C=O)cc1)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 1/20 0.42
ALDH1A1 P00352 7/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP2A6 P11509 1/20 0.39
KDM4E B2RXH2 4/20 0.38
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
NPC1 O15118 1/20 0.35
MTOR P42345 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAPK1 P28482 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
SCHEMBL1931571 1.00 ALDH1A3 (0.42) ALDH1A3ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL22249309 0.81 KDM4E (0.36) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL22233284 0.81 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL6507499 0.80 LMNA (0.49) ALDH1A1SMN1; SMN2LMNAADRB2ADRB1
SCHEMBL254987 0.79 MAPT (0.55) ALDH1A1LMNAMAPTHPGDL3MBTL1
SCHEMBL27244222 0.78 PARP10 (0.49) ALDH1A1LMNAMAPTKMT2A
SCHEMBL1985326 0.78 ALDH1A3 (0.54) ALDH1A3ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL22233863 0.77 CA2 (0.39) ALDH1A1LMNAMAPTHPGDKDM4E
SCHEMBL1931362 0.77 ALDH1A3 (0.50) ALDH1A3ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL27243795 0.77 MAPT (0.51) ALDH1A1SMN1; SMN2LMNAMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8691850-B2 Substituted phenylaminothiazoles and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-04-08 US disclosed
US-20100048641-A1 Use of Adenosine A1 and/or Dual A1/2ab Agonists for Production of Medicaments for Treating Diseases BAYER HEALTHCARE AG LAW AND PATENTS,PATENTS AND LICENSING (DE) 2010-02-25 US disclosed
US-20100048641-A1 Use of Adenosine A1 and/or Dual A1/2ab Agonists for Production of Medicaments for Treating Diseases BAYER HEALTHCARE AG LAW AND PATENTS,PATENTS AND LICENSING (DE) 2010-02-25 US disclosed
EP-1812430-B1 SUBSTITUTED PHENYLAMINOTHIAZOLES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2009-04-15 EP disclosed
US-20080269300-A1 Substituted Phenylaminothiazoles and Use Thereof BAYER HEALTHCARE AG (DE) 2008-10-30 US disclosed
US-20080269300-A1 Substituted Phenylaminothiazoles and Use Thereof BAYER HEALTHCARE AG (DE) 2008-10-30 US disclosed
EP-1812430-A1 SUBSTITUTED PHENYLAMINOTHIAZOLES AND USE THEREOF Bayer HealthCare AG (DE) 2007-08-01 EP disclosed
WO-2006027142-A1 SUBSTITUTED PHENYLAMINOTHIAZOLES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2006-03-16 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 (2 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-20100048641-A1 Use of Adenosine A1 and/or Dual A1/2ab Agonists for Production of Medicaments for Treating Diseases ADORA1, ADORA2B, ADORA2A ALDH1A3 1978/4885ALDH1A1 312/4885SMN1; SMN2 4135/4885
US-20080269300-A1 Substituted Phenylaminothiazoles and Use Thereof PAH, TNNT2, VHL ALDH1A3 1202/4885ALDH1A1 739/4885SMN1; SMN2 4331/4885

“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.