SCHEMBL6502637

SCHEMBL6502637

CCS(=O)(=O)N1CCC(C(=O)O)(c2ccccc2)C1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.61
CYP2C19 P33261 1/20 0.58
POLB P06746 1/20 0.56
MEN1 O00255 2/20 0.53
RAB9A P51151 1/20 0.53
TSHR P16473 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
OPRM1 P35372 4/20 0.48
OPRD1 P41143 3/20 0.48
OPRK1 P41145 3/20 0.48
SLC22A1 O15245 1/20 0.48
SLC6A4 P31645 1/20 0.48
ADRA1A P35348 1/20 0.48
KCNH2 Q12809 1/20 0.48
AKR1C1 Q04828 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TET3 O43151 1/20 0.47
FBXL19 Q6PCT2 1/20 0.47
CXXC5 Q7LFL8 1/20 0.47
TET1 Q8NFU7 1/20 0.47

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
SCHEMBL6498727 0.91 KMT2A (0.68) KMT2ACYP2C19POLBMEN1RAB9A
SCHEMBL7066460 0.80 KMT2A (0.70) KMT2ACYP2C19MEN1RAB9ATSHR
SCHEMBL6504241 0.79 OPRM1 (0.65) KMT2AOPRM1OPRD1OPRK1SLC22A1
SCHEMBL2701337 0.78 KMT2A (0.72) KMT2ACYP2C19MEN1RAB9ATSHR
SCHEMBL680913 0.76 OPRM1 (0.57) KMT2ACYP2C19OPRM1OPRD1OPRK1
SCHEMBL3998555 0.76 POLB (0.55) KMT2ACYP2C19POLBTSHRSMN1; SMN2
SCHEMBL503892 0.75 OPRM1 (0.73) KMT2AOPRM1OPRD1OPRK1SLC22A1
SCHEMBL2701656 0.75 GAA (0.53) KMT2ACYP2C19POLBTSHRSMN1; SMN2
SCHEMBL2699806 0.75 KMT2A (0.55) KMT2ACYP2C19POLBMEN1RAB9A
SCHEMBL2701062 0.73 KMT2A (0.53) KMT2ACYP2C19MEN1RAB9AAKR1C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050143372-A1 Compounds, pharmaceutical compositions and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. 2005-06-30 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 (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-20050143372-A1 Compounds, pharmaceutical compositions and methods of use therefor CCR8, CCL11, CCR5 KMT2A 4477/4885CYP2C19 2071/4885POLB 3458/4885

“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.