SCHEMBL20113729

SCHEMBL20113729

C=C(C(Cc1ccc(Cl)cc1)C(=O)OCC)P1(=O)SCCS1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.41
MMP8 P22894 1/20 0.40
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
MAPT P10636 5/20 0.36
ALDH1A1 P00352 5/20 0.36
LMNA P02545 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TNF P01375 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
CCR6 P51684 1/20 0.36
RUNX1 Q01196 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
SCHEMBL20109200 0.90 MMP8 (0.41) MMP8PPARGPPARAMAPTALDH1A1
SCHEMBL20113733 0.88 PPARG (0.41) EPHX2MMP8PPARGMAPTALDH1A1
SCHEMBL20113900 0.88 MMP8 (0.53) EPHX2MMP8PPARGMAPTALDH1A1
SCHEMBL20113726 0.85 PPARG (0.44) EPHX2MMP8PPARGPPARAMAPT
SCHEMBL20113453 0.82 EPHX2 (0.41) EPHX2MMP8PPARGPPARAMAPT
SCHEMBL20113732 0.80 L3MBTL1 (0.39) MMP8ALDH1A1LMNATDP1HPGD
SCHEMBL2672619 0.79 MMP8 (0.54) EPHX2MMP8PPARGPPARAMAPT
SCHEMBL20109198 0.77 L3MBTL1 (0.34) MMP8ALDH1A1LMNATDP1HPGD
SCHEMBL25403051 0.76 MMP8 (0.55) EPHX2MMP8PPARGPPARAMAPT
SCHEMBL17595853 0.76 MMP8 (0.43) EPHX2MMP8MAPTALDH1A1LMNA

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 EPHX2 2575/4885MMP8 4444/4885CA12 1181/4885
US-10633403-B2 N-heterocyclic phosphines NANP, PPIP5K2, PHPT1 EPHX2 2575/4885MMP8 4444/4885CA12 1181/4885

“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.