SCHEMBL20113432

SCHEMBL20113432

C=C(C(C(=O)OCC)c1ccccc1)P1(=S)N(c2ccccc2)CCN1c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.47
TSHR P16473 1/20 0.44
GAA P10253 2/20 0.41
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
ALDH1A1 P00352 4/20 0.38
SLC6A2 P23975 3/20 0.38
SLC6A3 Q01959 3/20 0.38
SLC6A4 P31645 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 2/20 0.37
OPRD1 P41143 1/20 0.36
KCNA3 P22001 1/20 0.35
PIN1 Q13526 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
SCHEMBL17596812 0.87 MMP8 (0.48) MMP8TSHRGAACA12CA1
SCHEMBL17596810 0.87 MMP8 (0.48) MMP8TSHRGAACA12CA1
SCHEMBL20113897 0.86 MAPT (0.39) TSHRGAAALDH1A1MEN1NPC1
SCHEMBL20113632 0.86 MMP8 (0.47) MMP8TSHRGAACA12CA1
SCHEMBL20113902 0.81 MMP8 (0.49) MMP8TSHRGAAALDH1A1MEN1
SCHEMBL20113431 0.81 ALDH1A1 (0.43) MMP8TSHRGAAALDH1A1MEN1
SCHEMBL20109211 0.81 TDP1 (0.42) ALDH1A1MEN1KMT2A
SCHEMBL20113911 0.81 OPRD1 (0.36) MMP8TSHRGAAALDH1A1MEN1
SCHEMBL20109225 0.80 ALDH1A1 (0.41) TSHRGAAALDH1A1MAPT
SCHEMBL20109223 0.79 MMP8 (0.44) MMP8GAAALDH1A1MEN1KMT2A

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 4444/4885TSHR 4125/4885GAA 4181/4885
US-10633403-B2 N-heterocyclic phosphines NANP, PPIP5K2, PHPT1 MMP8 4444/4885TSHR 4125/4885GAA 4181/4885

“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.