SCHEMBL20109280

SCHEMBL20109280

C=C(C(F)C(=O)OCC)P1(=O)N(c2ccccc2)CCN1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.39
MAPT P10636 4/20 0.39
ALDH1A1 P00352 4/20 0.39
TSHR P16473 3/20 0.39
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
PIN1 Q13526 1/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.36
LMNA P02545 2/20 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
SCHEMBL17596436 0.90 GAA (0.39) GAAMAPTALDH1A1TSHRPIN1
SCHEMBL20109272 0.86 GAA (0.40) GAAMAPTALDH1A1TSHRPIN1
SCHEMBL17596810 0.85 MMP8 (0.48) GAAMAPTALDH1A1TSHROPRD1
SCHEMBL17596815 0.83 MMP8 (0.50) GAAALDH1A1TSHRPOLB
SCHEMBL17595869 0.83 ALDH1A1 (0.43) GAAMAPTALDH1A1TSHRPIN1
SCHEMBL20109283 0.82 TDP1 (0.39) GAAMAPTALDH1A1TSHRPIN1
SCHEMBL17596772 0.82 OPRD1 (0.37) GAAMAPTALDH1A1TSHROPRD1
SCHEMBL20109145 0.81 ALDH1A1 (0.41) GAAMAPTALDH1A1TSHRMEN1
SCHEMBL20109357 0.81 MMP8 (0.43) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL20109149 0.80 MMP8 (0.44) MAPTALDH1A1TSHRMEN1KMT2A

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 GAA 4181/4885MAPT 4371/4885ALDH1A1 4621/4885
US-10633403-B2 N-heterocyclic phosphines NANP, PPIP5K2, PHPT1 GAA 4181/4885MAPT 4371/4885ALDH1A1 4621/4885

“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.