SCHEMBL4884087

SCHEMBL4884087

CC(C)(C)OC(=O)C(C)(C)Sc1ccc(C#N)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 10/20 0.44
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
GPR119 Q8TDV5 2/20 0.38
EGLN2 Q96KS0 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
PPARA Q07869 1/20 0.36
AR P10275 1/20 0.36

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
SCHEMBL4888690 0.80 SLC22A12 (0.57) SLC22A12MAOAMAOBPPARA
SCHEMBL12426830 0.79 ALDH1A1 (0.41) SLC22A12ALDH1A1MAPTMAOACA1
SCHEMBL3285117 0.79 SMN1; SMN2 (0.41) SLC22A12ALDH1A1MAPT
SCHEMBL2818700 0.78 MAPT (0.42) ALDH1A1MAPTCA1CA2
SCHEMBL5227021 0.76 PTPRZ1 (0.38)
SCHEMBL6364141 0.76 ALDH1A1 (0.43) ALDH1A1MAPT
SCHEMBL4877710 0.75 LOXL2 (0.40) MAOB
SCHEMBL2823545 0.75 CA1 (0.44) ALDH1A1MAPTCA1CA2
Hydrochloric Acid SCHEMBL4927261 0.74 LOXL2 (0.39) MAOB
SCHEMBL4023625 0.73 KIF11 (0.43) ALDH1A1MAPTGPR119EGLN2CA1

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-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-1742942-A1 PHENYLTHIOACETIC ACID DERIVATIVES AND USE THEREOF Bayer HealthCare AG (DE) 2007-01-17 EP disclosed
WO-2005097784-A1 PHENYLTHIOACETIC ACID DERIVATIVES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2005-10-20 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-20080255202-A1 Phenylthioacetic Acid Derivatives and Use Thereof PAH, TST, MPST SLC22A12 761/4885ALDH1A1 676/4885MAPT 1228/4885
US-20080261990-A1 Novel Pyrimidine Derivatives and their Use TYMS, TYMP, UMPS SLC22A12 3285/4885ALDH1A1 1944/4885MAPT 4320/4885

“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.