SCHEMBL20113626

SCHEMBL20113626

C=C(C(Cc1ccc(C(F)(F)F)cc1)C(=O)OCC)P1(=S)N(c2ccccc2)CCN1c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.40
PPARG P37231 7/20 0.40
EPHX2 P34913 6/20 0.40
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PPARA Q07869 1/20 0.36
OPRK1 P41145 1/20 0.36
TACR1 P25103 1/20 0.35
TP53 P04637 1/20 0.35
KCNH2 Q12809 1/20 0.35
NPY1R P25929 1/20 0.35
NPY2R P49146 1/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 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
SCHEMBL20113902 0.90 MMP8 (0.49) MMP8ALDH1A1TP53NPY1RNPY2R
SCHEMBL17596790 0.89 MMP8 (0.41) MMP8PPARGEPHX2ALDH1A1KDM4E
SCHEMBL17596788 0.89 MMP8 (0.41) MMP8PPARGEPHX2ALDH1A1KDM4E
SCHEMBL20113628 0.89 MMP8 (0.42) MMP8PPARGEPHX2ALDH1A1KDM4E
SCHEMBL20109223 0.89 MMP8 (0.44) MMP8ALDH1A1TP53KCNH2NPY1R
SCHEMBL20113457 0.89 MMP8 (0.40) MMP8PPARGEPHX2ALDH1A1KDM4E
SCHEMBL20113438 0.87 MMP8 (0.42) MMP8EPHX2ALDH1A1KDM4ETP53
SCHEMBL20113430 0.82 MMP8 (0.38) MMP8ALDH1A1KDM4ETACR1TP53
SCHEMBL20113431 0.79 ALDH1A1 (0.43) MMP8ALDH1A1
SCHEMBL20109220 0.79 MMP8 (0.36) MMP8ALDH1A1KDM4ETACR1TP53

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 4444/4885PPARG 2938/4885EPHX2 2575/4885
US-10633403-B2 N-heterocyclic phosphines NANP, PPIP5K2, PHPT1 MMP8 4444/4885PPARG 2938/4885EPHX2 2575/4885

“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.