SCHEMBL20113899

SCHEMBL20113899

CCOC(=O)C/C(=C\c1ccccc1)P1(=O)SCCS1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
ALDH1A1 P00352 5/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 3/20 0.41
NR1H4 Q96RI1 1/20 0.39
LMNA P02545 4/20 0.39
MAPT P10636 4/20 0.39
NPSR1 Q6W5P4 3/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
MAPK1 P28482 1/20 0.38
MDM2 Q00987 1/20 0.38
NR1I2 O75469 1/20 0.38

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
SCHEMBL20109183 0.82 KDM1A (0.40) MEN1KMT2AALDH1A1NPC1KDM4E
SCHEMBL20113889 0.80 GAA (0.45) ALDH1A1LMNAMAPTNPSR1CYP1A2
SCHEMBL20113890 0.80 GAA (0.45) ALDH1A1LMNAMAPTNPSR1CYP1A2
SCHEMBL20113531 0.79 MEN1 (0.49) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL20113908 0.77 GAA (0.42) ALDH1A1LMNAMAPTNR1I2ADORA3
SCHEMBL20109195 0.76 L3MBTL1 (0.39) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL20109330 0.76 MEN1 (0.46) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL20113892 0.75 GAA (0.40) MEN1KMT2AALDH1A1KDM4E
SCHEMBL20113895 0.75 GAA (0.40) KMT2AALDH1A1POLBLMNAL3MBTL1
SCHEMBL20113529 0.73 MEN1 (0.45) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2

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 MEN1 469/4885KMT2A 2508/4885ALDH1A1 4621/4885
US-10633403-B2 N-heterocyclic phosphines NANP, PPIP5K2, PHPT1 MEN1 469/4885KMT2A 2508/4885ALDH1A1 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.