SCHEMBL20113399

SCHEMBL20113399

C=C(CC(=O)SCc1ccccc1)P1(=O)OCCO1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
IDO1 P14902 8/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
MAPK1 P28482 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
CYP2C19 P33261 1/20 0.33
PAM P19021 1/20 0.33
HTT P42858 1/20 0.33
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL20113730 0.78 TDP1 (0.41) TDP1L3MBTL1IDO1NOS3NOS1
SCHEMBL20109345 0.75 TDP1 (0.39) TDP1L3MBTL1IDO1NOS3NOS1
SCHEMBL6963636 0.75 TDP1 (0.59) TDP1L3MBTL1IDO1NOS3NOS1
SCHEMBL20109169 0.74 KDM4E (0.32) SMN1; SMN2
SCHEMBL20113633 0.72 TDP1 (0.39) TDP1L3MBTL1IDO1NOS3NOS1
SCHEMBL20113433 0.71 TDP1 (0.38) TDP1L3MBTL1IDO1NOS3NOS1
SCHEMBL10709613 0.68 IDO1 (0.50) TDP1L3MBTL1IDO1NOS3NOS1
SCHEMBL3048336 0.66 TDP1 (0.79) TDP1L3MBTL1IDO1NOS3NOS1
SCHEMBL7007017 0.66 TDP1 (0.58) TDP1L3MBTL1IDO1NOS3NOS1
SCHEMBL19406969 0.65 TDP1 (0.56) TDP1L3MBTL1IDO1NOS3NOS1

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-10633403-B2 N-heterocyclic phosphines THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA (US) 2020-04-28 US disclosed
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 (2 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 TDP1 2513/4885L3MBTL1 3799/4885IDO1 3933/4885
US-10633403-B2 N-heterocyclic phosphines NANP, PPIP5K2, PHPT1 TDP1 2513/4885L3MBTL1 3799/4885IDO1 3933/4885

“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.