SCHEMBL16019044

SCHEMBL16019044

CCN1CCN(C(=O)NC(C(=O)O)c2csc(C)n2)C(=O)C1=O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTPRB P23467 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ PDE3A Q14432 1/20 0.34
▸ SLC22A6 Q4U2R8 1/20 0.34
▸ SLC22A8 Q8TCC7 1/20 0.34
▸ SLC22A11 Q9NSA0 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL10546648 0.85 PTPRB (0.34) PTPRBHDAC1HDAC2GAAL3MBTL1
SCHEMBL16019047 0.83 FAAH (0.36) PTPRBKDM4EMEN1KMT2A
SCHEMBL10788607 0.82 MAPT (0.36) PTPRBMAPTPDE3ASLC22A6SLC22A8
SCHEMBL10543175 0.82 MAPT (0.37) PTPRBMAPTPDE3ASLC22A6SLC22A8
SCHEMBL16021034 0.81 CCR2 (0.39) PTPRBMAPTPDE3ASLC22A6SLC22A8
SCHEMBL11190222 0.80 MAPT (0.32) PTPRBMAPTPDE3ASLC22A6SLC22A8
SCHEMBL10641897 0.79 HDAC1 (0.35) PTPRBMAPTPDE3ASLC22A6SLC22A8
SCHEMBL11190197 0.79 HDAC1 (0.32) PTPRBMAPTPDE3ASLC22A6SLC22A8
SCHEMBL10767272 0.79 PTPRB (0.35) PTPRBMAPTPDE3ASLC22A6SLC22A8
SCHEMBL11190185 0.78 CCR2 (0.33) MAPTPDE3ASLC22A6SLC22A8SLC22A11

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-9290515-B2 Cephem derivative having catechol group SHIONOGI & CO., LTD (JP) 2016-03-22 — — US disclosed
US-20140256697-A1 CEPHEM DERIVATIVE HAVING CATECHOL GROUP SHIONOGI & CO., LTD. (JP) 2014-09-11 — — 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-20140256697-A1 CEPHEM DERIVATIVE HAVING CATECHOL GROUP COMT, CEP170, SLC6A3 PTPRB 2223/4885MAPT 1067/4885PDE3A 1603/4885

“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.

Send feedback