SCHEMBL8091312

SCHEMBL8091312

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nccs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
METAP1 P53582 1/20 0.38
USP30 Q70CQ3 1/20 0.37
FFAR2 O15552 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
TRPM8 Q7Z2W7 2/20 0.34
CPB2 Q96IY4 1/20 0.34
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
NPC1 O15118 2/20 0.33
NR3C1 P04150 1/20 0.33
SSTR4 P31391 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
PPARG P37231 1/20 0.33
RAB9A P51151 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL3069954 0.92 METAP1 (0.36) ALDH1A1METAP1USP30FFAR2GPR119
SCHEMBL1585657 0.85 FFAR2 (0.43) ALDH1A1METAP1USP30FFAR2GPR119
SCHEMBL27567713 0.84 METAP1 (0.36) ALDH1A1METAP1USP30FFAR2GPR119
SCHEMBL1369612 0.81 USP30 (0.50) ALDH1A1METAP1USP30FFAR2GPR119
SCHEMBL28887163 0.81 MEN1 (0.38) ALDH1A1METAP1FFAR2GPR119TRPM8
SCHEMBL3654697 0.81 TRPM8 (0.39) ALDH1A1METAP1FFAR2GPR119TRPM8
SCHEMBL6982226 0.79 TRPM8 (0.37) ALDH1A1METAP1FFAR2TRPM8CPB2
SCHEMBL7333182 0.78 USP30 (0.40) ALDH1A1METAP1USP30FFAR2GPR119
SCHEMBL7292836 0.78 USP30 (0.40) ALDH1A1METAP1USP30FFAR2GPR119
SCHEMBL30416986 0.78 F2 (0.38) ALDH1A1METAP1FFAR2GPR119TRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2057140-B1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2012-08-08 EP disclosed
US-20100227858-A1 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2010-09-09 US disclosed
US-20100227858-A1 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2010-09-09 US disclosed
US-7750003-B2 Compounds-943 ASTRAZENECA AB (SE) 2010-07-06 US disclosed
US-7750003-B2 Compounds-943 ASTRAZENECA AB (SE) 2010-07-06 US disclosed
WO-2009007751-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2009-01-15 WO disclosed
US-20080171743-A1 Transcutaneous immunostimulation ASTRAZENECA AB (SE) 2008-07-17 US disclosed
US-20080171743-A1 Transcutaneous immunostimulation ASTRAZENECA AB (SE) 2008-07-17 US disclosed
WO-2008023159-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-02-28 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-20080171743-A1 Transcutaneous immunostimulation NFATC1, TLR9, MTOR ALDH1A1 3243/4885METAP1 1922/4885USP30 3450/4885
US-20100227858-A1 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES MTOR, PIK3CA, PIK3CD ALDH1A1 2519/4885METAP1 2438/4885USP30 4369/4885

“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.