SCHEMBL13035259

SCHEMBL13035259

CC[C@@H](CO)NC(=O)c1c(-c2ccsc2)nc2c(C(=O)NCc3ccc(O)cc3)cccn12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 4/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
HDAC3 O15379 3/20 0.36
HDAC1 Q13547 3/20 0.36
HDAC2 Q92769 3/20 0.36
GUCY1B2 O75343 2/20 0.35
GUCY1A2 P33402 2/20 0.35
GUCY1A1 Q02108 2/20 0.35
GUCY1B1 Q02153 2/20 0.35
PIK3CA P42336 1/20 0.35
KLKB1 P03952 2/20 0.35
KLK1 P06870 1/20 0.35
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL13035258 0.93 KDM4E (0.35) KDM4EALDH1A1HPGDGUCY1B2GUCY1A2
SCHEMBL13035050 0.92 MT-CO2 (0.35) MT-CO2KDM4EALDH1A1HPGDHDAC3
SCHEMBL13035102 0.91 MAPK8 (0.45) KDM4EALDH1A1HPGDGUCY1B2GUCY1A2
SCHEMBL8192109 0.90 PDPK1 (0.38) KDM4EALDH1A1HPGDHDAC1GUCY1B2
SCHEMBL13035094 0.89 KDM4E (0.37) KDM4EALDH1A1HPGDGUCY1B2GUCY1A2
SCHEMBL8197199 0.89 TNKS (0.39) KDM4EALDH1A1HPGDGUCY1B2GUCY1A2
SCHEMBL8192793 0.89 MGLL (0.36) KDM4EALDH1A1HPGDGUCY1B2GUCY1A2
SCHEMBL13035072 0.89 ACE2 (0.39) KDM4EALDH1A1HPGDHDAC1GUCY1B2
SCHEMBL13035032 0.88 PIK3CA (0.46) HDAC1PIK3CAKLKB1KLK1
SCHEMBL13035249 0.88 PTGER4 (0.38) KDM4EALDH1A1HPGDGUCY1B2GUCY1A2

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-20100298314-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-11-25 US disclosed
US-20100298314-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-11-25 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-20100298314-A1 NOVEL JNK INHIBITORS MAPK1, MAPKAPK2, MAP4K2 MT-CO2 3627/4885KDM4E 3905/4885ALDH1A1 1430/4885

“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.