SCHEMBL3453208

SCHEMBL3453208

CC(C)(C)OC(=O)CCNC(N)=S

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
EPHX2 P34913 1/20 0.38
CA2 P00918 8/20 0.36
CA12 O43570 7/20 0.36
CA1 P00915 7/20 0.36
CA9 Q16790 4/20 0.36
TDP1 Q9NUW8 1/20 0.36
GAA P10253 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
HIF1A Q16665 1/20 0.34
CA14 Q9ULX7 3/20 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
SCHEMBL14729453 0.86 EPHX2 (0.52) MAOAMAOBEPHX2CA2CA12
SCHEMBL14396534 0.85 MLYCD (0.41) MLYCDMAOAMAOBEPHX2CA2
SCHEMBL15340973 0.82 MAOA (0.41) MAOAMAOBCA2CA12CA1
SCHEMBL4520317 0.80 CA12 (0.52) EPHX2CA2CA12CA9KMT2A
SCHEMBL1436068 0.79 MAOA (0.54) MAOAMAOBCA2CA12CA1
SCHEMBL1709282 0.79 MEN1 (0.48) MLYCDEPHX2CA2CA12CA1
SCHEMBL2799440 0.79 TDP1 (0.56) MLYCDMAOAMAOBEPHX2CA2
SCHEMBL8645031 0.79 KDM4E (0.43) MLYCDMAOAMAOBEPHX2TDP1
SCHEMBL16675239 0.77 MLYCD (0.41) MLYCDMAOAMAOBEPHX2TDP1
SCHEMBL7664928 0.77 MLYCD (0.41) MLYCDMAOAMAOBEPHX2CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820704-B2 Substituted heteroaryl derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2010-10-26 US disclosed
EP-1753735-A1 SUBSTITUTED THIAZOLE AND PYRIMIDINE DERIVATIVES AS MELANOCORTIN RECEPTOR MODULATORS Transtech Pharma, Inc. (US) 2007-02-21 EP disclosed
US-20050261294-A1 Substituted heteroaryl derivatives, compositions, and methods of use VTVX HOLDINGS I LLC 2005-11-24 US disclosed
WO-2005103022-A1 SUBSTITUTED THIAZOLE AND PYRIMIDINE DERIVATIVES AS MELANOCORTIN RECEPTOR MODULATORS TRANSTECH PHARMA, INC. (US) 2005-11-03 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 (1 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-20050261294-A1 Substituted heteroaryl derivatives, compositions, and methods of use MC5R, MC3R, MC4R MLYCD 459/4885MAOA 211/4885MAOB 184/4885

“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.