SCHEMBL1590555

SCHEMBL1590555

C/C(=N\[S+]([O-])C(C)(C)C)c1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.40
NR4A2 P43354 1/20 0.40
NR4A3 Q92570 1/20 0.40
PLK1 P53350 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 1/20 0.38
POLB P06746 3/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
CNR2 P34972 1/20 0.37
HTT P42858 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
AGTR1 P30556 1/20 0.37
MMP3 P08254 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
GPR3 P46089 1/20 0.37
AVPR1A P37288 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
SCHEMBL1590559 1.00 NR4A1 (0.40) NR4A1NR4A2NR4A3PLK1ALDH1A1
SCHEMBL12702465 1.00 NR4A1 (0.40) NR4A1NR4A2NR4A3PLK1ALDH1A1
SCHEMBL1590558 1.00 NR4A1 (0.40) NR4A1NR4A2NR4A3PLK1ALDH1A1
SCHEMBL30258129 0.79 RXFP1 (0.36) KMT2AMEN1CNR2HTTNPC1
SCHEMBL30890559 0.79 KMT2A (0.53) ALDH1A1HPGDKMT2AMEN1NPC1
SCHEMBL18383195 0.79 KMT2A (0.53) ALDH1A1HPGDKMT2AMEN1NPC1
SCHEMBL17007007 0.78 SMN1; SMN2 (0.41) ALDH1A1LMNAKMT2AHTTNPC1
SCHEMBL18097129 0.78 SMN1; SMN2 (0.41) ALDH1A1LMNAKMT2AHTTNPC1
SCHEMBL568601 0.78 SMN1; SMN2 (0.41) ALDH1A1LMNAKMT2AHTTNPC1
SCHEMBL20616524 0.78 GPR3 (0.39) ALDH1A1HPGDKMT2AMEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092468-A1 Pharmaceutical Calcimimetics CONCERT PHARMACEUTICALS INC. (US) 2011-04-21 US disclosed
US-20080261926-A1 Pharmaceutical Calcimimetics CONCERT PHARMACEUTICALS INC. 2008-10-23 US 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-20110092468-A1 Pharmaceutical Calcimimetics CASR, CALCR, PTH1R NR4A1 850/4885NR4A2 576/4885NR4A3 529/4885
US-20080261926-A1 Pharmaceutical Calcimimetics CASR, CALCR, PTH1R NR4A1 850/4885NR4A2 576/4885NR4A3 529/4885

“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.