SCHEMBL5357316

SCHEMBL5357316

O=C1OCCN1CCCS(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
NQO2 P16083 1/20 0.35
NAAA Q02083 3/20 0.34
PIK3CD O00329 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KMT2A Q03164 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
PER2 O15055 1/20 0.33
CRY2 Q49AN0 1/20 0.33
APP P05067 1/20 0.32
FGFR1 P11362 1/20 0.32
FGFR2 P21802 1/20 0.32
PDK2 Q15119 1/20 0.32
ADAMTS5 Q9UNA0 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
SCHEMBL1031978 0.78 KDM4E (0.46) KDM4ENQO2NAAAPIK3CDALDH1A1
SCHEMBL15111451 0.74 KDM4E (0.46) KDM4ENQO2NAAAPIK3CDALDH1A1
SCHEMBL4035621 0.74 KDM4E (0.46) KDM4ENQO2NAAAPIK3CDALDH1A1
SCHEMBL16377754 0.74 KDM4E (0.46) KDM4ENQO2NAAAPIK3CDALDH1A1
SCHEMBL2065643 0.74 KDM4E (0.50) KDM4ENQO2NAAAPIK3CDALDH1A1
SCHEMBL4573839 0.74 NAAA (0.49) KDM4ENQO2NAAAPIK3CDALDH1A1
SCHEMBL20105 0.74
SCHEMBL10981200 0.73 KDM4E (0.45) KDM4ENQO2NAAAPIK3CDALDH1A1
SCHEMBL31308 0.73 NAAA (0.51) KDM4ENQO2NAAAPIK3CDALDH1A1
SCHEMBL4860823 0.71 NAAA (0.54) KDM4ENAAAPIK3CDALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3271354-A1 NOVEL 3-INDOL SUBSTITUTED DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE Pfizer Inc (US) 2018-01-24 EP disclosed
US-9873690-B2 3-indol substituted derivatives, pharmaceutical compositions and methods for use PFIZER INC (US) 2018-01-23 US disclosed
WO-2016147144-A1 NOVEL 3-INDOL SUBSTITUTED DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE PFIZER INC. (US) 2016-09-22 WO disclosed
US-20160272628-A1 NOVEL 3-INDOL SUBSTITUTED DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE PFIZER INC. 2016-09-22 US disclosed
WO-2007140982-A1 SUBSTITUTED BENZOXAZOLES BAYER HEALTHCARE AG (DE) 2007-12-13 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-20160272628-A1 NOVEL 3-INDOL SUBSTITUTED DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TDO2, IDO1, IDO2 KDM4E 2687/4885NQO2 204/4885NAAA 4341/4885

“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.