SCHEMBL324766

SCHEMBL324766

COc1ccccc1S(=O)(=O)c1nc(OC2CCNCC2)nc(N)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCK P27707 1/20 0.38
HTR1A P08908 3/20 0.37
SLC6A2 P23975 3/20 0.37
SLC6A3 Q01959 2/20 0.37
HTR6 P50406 3/20 0.36
CDK1 P06493 1/20 0.36
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
CDK2 P24941 1/20 0.36
HTR2C P28335 3/20 0.35
KRAS P01116 1/20 0.35
SOS1 Q07889 1/20 0.35
HRH1 P35367 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
FFAR2 O15552 1/20 0.34
SLC6A4 P31645 1/20 0.34
RET P07949 1/20 0.34
KIF5B P33176 1/20 0.34
KDR P35968 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
SCHEMBL324767 0.71 WNT3 (0.37) HTR1ASLC6A2SLC6A3HTR6HRH1
SCHEMBL324734 0.69 KDM4E (0.44) DCKHTR1ASLC6A2HTR6HRH1
SCHEMBL324733 0.68 FFAR2 (0.46) HRH1FFAR2
SCHEMBL1780546 0.65 HRH1 (0.62) HTR1ASLC6A2SLC6A3HTR2CHRH1
SCHEMBL83254 0.65 HRH1 (0.54) HTR1ASLC6A2SLC6A3HTR6HRH1
Hydrochloric Acid SCHEMBL4100905 0.64 HRH1 (0.60) HTR1ASLC6A2SLC6A3HTR2CHRH1
Hydrochloric Acid SCHEMBL72840 0.64 HRH1 (0.53) HTR1ASLC6A2SLC6A3HTR6HTR2C
SCHEMBL2315762 0.63 HTR6 (0.62) HTR6
SCHEMBL31352974 0.62 HTR6 (0.77) HTR6
SCHEMBL312481 0.61 DCK (0.47) DCK

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-8093246-B2 potent deoxycytidine kinase inhibitors; O-linked pyrimidin-4-amine-based compounds LEXICON PHARMACEUTICALS, INC. (US) 2012-01-10 US disclosed
US-20080146571-A1 O-LINKED PYRIMIDIN-4-AMINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE TO TREAT CANCER OXFORD FINANCE LLC, AS COLLATERAL AGENT 2008-06-19 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-20080146571-A1 O-LINKED PYRIMIDIN-4-AMINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE TO TREAT CANCER DPYD, DHFR, TYMP DCK 46/4885HTR1A 2540/4885SLC6A2 1552/4885

“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.