SCHEMBL20109199

SCHEMBL20109199

C=C(C(Cc1ccccc1-c1ccccc1)C(=O)OCC)P1(=O)SCCS1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
CYP2D6 P10635 3/20 0.38
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
SLC6A3 Q01959 2/20 0.38
CHRM3 P20309 1/20 0.38
KCNH2 Q12809 1/20 0.38
MMP8 P22894 1/20 0.37
LMNA P02545 1/20 0.37
MME P08473 1/20 0.36
ACE P12821 1/20 0.36
CPA1 P15085 1/20 0.36
ACE2 Q9BYF1 1/20 0.36
PPARA Q07869 2/20 0.35
PPARG P37231 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
MAPT P10636 2/20 0.35
GSTO1 P78417 1/20 0.35

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
SCHEMBL20113900 0.84 MMP8 (0.53) KMT2AMMP8LMNAPPARGTDP1
SCHEMBL20109175 0.83 KMT2A (0.48) KMT2ACYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL20109146 0.81 KMT2A (0.46) KMT2ACYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL21866414 0.78 KMT2A (0.45) KMT2ACYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL20109258 0.77 KMT2A (0.44) KMT2ACYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL20109200 0.77 MMP8 (0.41) KMT2AKCNH2MMP8LMNAPPARA
SCHEMBL20113733 0.75 PPARG (0.41) KMT2AMMP8LMNACPA1PPARG
SCHEMBL20113729 0.75 EPHX2 (0.41) KMT2AMMP8LMNAPPARAPPARG
SCHEMBL20113727 0.74 MMP8 (0.51) KMT2ASLC6A2SLC6A4SLC6A3MMP8
SCHEMBL20113726 0.72 PPARG (0.44) KMT2AMMP8PPARAPPARGALDH1A1

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 3 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
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 KMT2A 2508/4885CYP2D6 3429/4885SLC6A2 1467/4885
US-10633403-B2 N-heterocyclic phosphines NANP, PPIP5K2, PHPT1 KMT2A 2508/4885CYP2D6 3429/4885SLC6A2 1467/4885

“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.