SCHEMBL20109193

SCHEMBL20109193

C=C(C(C)c1ccccc1)P1(=O)SCCS1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.43
PTGS2 P35354 3/20 0.36
GRM7 Q14831 2/20 0.36
BCHE P06276 1/20 0.36
HTR1A P08908 1/20 0.36
ADRB3 P13945 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
DRD3 P35462 1/20 0.36
HTR2B P41595 1/20 0.36
HTR6 P50406 1/20 0.36
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 4/20 0.33
LMNA P02545 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 3/20 0.33
XBP1 P17861 1/20 0.33
ATM Q13315 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
SCHEMBL20109168 0.73 FAAH (0.36) FAAHPTGS2GRM7BCHEHTR1A
SCHEMBL20109150 0.70 CYP2D6 (0.36) FAAHPTGS2GRM7BCHEHTR1A
SCHEMBL10628842 0.68 PTGS2 (0.47) FAAHPTGS2BCHEHTR1AADRB3
SCHEMBL13176481 0.67 PTGS2 (0.45) PTGS2HTR2AHPGDLMNAALDH1A1
SCHEMBL16168604 0.67 PTGS2 (0.45) PTGS2HTR2AHPGDLMNAALDH1A1
SCHEMBL13177031 0.67 PTGS2 (0.45) PTGS2HTR2AHPGDLMNAALDH1A1
SCHEMBL2163297 0.65 HPGD (0.47) PTGS2HTR2AHPGDLMNAALDH1A1
SCHEMBL4813777 0.65 PTGS2 (0.43) FAAHPTGS2BCHEHTR1AADRB3
Ammonia Solution, Strong SCHEMBL11508344 0.65 PTGS2 (0.43) FAAHPTGS2HTR2AHPGDLMNA
SCHEMBL348322 0.65 HPGD (0.52) FAAHPTGS2GRM7BCHEHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180118770-A1 N-Heterocyclic Phosphines THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS 2018-05-03 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-20180118770-A1 N-Heterocyclic Phosphines NANP, PPIP5K2, PHPT1 FAAH 3458/4885PTGS2 1929/4885GRM7 2242/4885

“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.