SCHEMBL887361

SCHEMBL887361

Cc1ccc(S(=O)(=O)N(C2CCCCC2N)P(O)(=S)S(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
ALDH1A1 P00352 4/20 0.35
GAA P10253 1/20 0.35
KCNH2 Q12809 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
POLB P06746 1/20 0.34
AGER Q15109 1/20 0.34
TAS2R14 Q9NYV8 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
BACE1 P56817 1/20 0.34
KDM1A O60341 2/20 0.33
ADORA3 P0DMS8 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL810837 0.75 HTR2A (0.51) HTR2AHTR2CCNR1CNR2ALDH1A1
SCHEMBL11456154 0.72 POLB (0.44) HTR2AHTR2CCNR1CNR2ALDH1A1
SCHEMBL11456153 0.72 POLB (0.44) HTR2AHTR2CCNR1CNR2ALDH1A1
SCHEMBL887417 0.70 METAP2 (0.38) CNR1CNR2ALDH1A1GAAKCNH2
SCHEMBL9114934 0.68 STAT5B (0.39) ALDH1A1CYP3A4TSHRPOLBTAS2R14
SCHEMBL4367433 0.68 STAT5B (0.39) ALDH1A1CYP3A4TSHRPOLBTAS2R14
SCHEMBL15766069 0.67 ALDH1A1 (0.47) ALDH1A1GAAKCNH2CYP3A4TSHR
SCHEMBL17102899 0.67 ALDH1A1 (0.47) ALDH1A1GAAKCNH2CYP3A4TSHR
SCHEMBL887371 0.66 AGER (0.41) CNR2POLBAGERMEN1KMT2A
SCHEMBL14062319 0.65 ACHE (0.49) HTR2AHTR2CCNR1CNR2ALDH1A1

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-7902207-B2 Process for production of amines TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-03-08 US disclosed
US-20070142639-A1 Process for production of amines TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-06-21 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-20070142639-A1 Process for production of amines SMS, CCNT1, PEAK1 HTR2A 1187/4885HTR2C 2150/4885CNR1 2186/4885

“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.