SCHEMBL20113902

SCHEMBL20113902

C=C(C(Cc1ccccc1)C(=O)OCC)P1(=S)N(c2ccccc2)CCN1c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.49
ALDH1A1 P00352 4/20 0.42
TP53 P04637 1/20 0.42
NPY1R P25929 1/20 0.42
NPY2R P49146 1/20 0.42
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.37
POLB P06746 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GFER P55789 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL20109223 0.95 MMP8 (0.44) MMP8ALDH1A1TP53NPY1RNPY2R
SCHEMBL20113438 0.93 MMP8 (0.42) MMP8ALDH1A1TP53NPY1RNPY2R
SCHEMBL20113628 0.93 MMP8 (0.42) MMP8ALDH1A1TP53NPY1RNPY2R
SCHEMBL20113626 0.90 MMP8 (0.40) MMP8ALDH1A1TP53NPY1RNPY2R
SCHEMBL20113430 0.89 MMP8 (0.38) MMP8ALDH1A1TP53L3MBTL1POLB
SCHEMBL17596817 0.87 MMP8 (0.50) MMP8ALDH1A1TP53NPY1RNPY2R
SCHEMBL17596815 0.87 MMP8 (0.50) MMP8ALDH1A1TP53NPY1RNPY2R
SCHEMBL20113547 0.86 MMP8 (0.49) MMP8ALDH1A1TP53NPY1RNPY2R
SCHEMBL20113431 0.86 ALDH1A1 (0.43) MMP8ALDH1A1L3MBTL1TDP1TSHR
SCHEMBL20109220 0.86 MMP8 (0.36) MMP8ALDH1A1TP53L3MBTL1POLB

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 MMP8 4444/4885ALDH1A1 4621/4885TP53 1611/4885
US-10633403-B2 N-heterocyclic phosphines NANP, PPIP5K2, PHPT1 MMP8 4444/4885ALDH1A1 4621/4885TP53 1611/4885

“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.