SCHEMBL22321972

SCHEMBL22321972

O=C(CN(OCc1ccccc1)c1ccccc1)OP(=O)(O)Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
ALPG P10696 1/20 0.38
PTK2B Q14289 1/20 0.38
ALDH1A1 P00352 5/20 0.37
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CETP P11597 3/20 0.36
PDPK1 O15530 1/20 0.35
MTOR P42345 1/20 0.35
FOLH1 Q04609 1/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
SRC P12931 1/20 0.34
GLA P06280 1/20 0.33
HTT P42858 1/20 0.33
PAX8 Q06710 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
SLC6A2 P23975 1/20 0.33

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
SCHEMBL10004616 0.89 NPC1 (0.43) TSHRALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL8310205 0.79 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1NPC1RAB9A
SCHEMBL5370663 0.78 ALDH1A1 (0.43) TSHRALDH1A1MAPK1L3MBTL1NPC1
SCHEMBL4633843 0.76 ENPP2 (0.36) TSHRALDH1A1MAPK1L3MBTL1PDPK1
SCHEMBL472178 0.73 ALDH1A1 (0.38) TSHRALDH1A1L3MBTL1CETPFOLH1
SCHEMBL4633323 0.73 CETP (0.39) TSHRALPGPTK2BALDH1A1L3MBTL1
SCHEMBL20162506 0.73 ALDH1A1 (0.38) TSHRALDH1A1L3MBTL1CETPFOLH1
SCHEMBL4271373 0.70 NPC1 (0.46) TSHRALPGPTK2BALDH1A1MAPK1
SCHEMBL20856237 0.69 HSD17B10 (0.40)
SCHEMBL10004685 0.69 ALDH1A1 (0.40) TSHRALDH1A1CETPFOLH1MAPT

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-11078221-B2 Phosphorodiamidates and other phosphorus derivatives of fingolimod and related S1P receptor modulators UNIVERSITY COLLEGE CARDIFF CONSULTANTS LTD (GB) 2021-08-03 US disclosed
US-20200255460-A1 PHOSPHORODIAMIDATES AND OTHER PHOSPHORUS DERIVATIVES OF FINGOLIMOD AND RELATED S1 P RECEPTOR MODULATORS UNIVERSITY COLLEGE CARDIFF CONSULTANTS LTD (GB) 2020-08-13 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-11078221-B2 Phosphorodiamidates and other phosphorus derivatives of fingolimod and related S1P receptor modulators S1PR1, S1PR3, S1PR4 TSHR 925/4885ALPG 2159/4885PTK2B 1779/4885
US-20200255460-A1 PHOSPHORODIAMIDATES AND OTHER PHOSPHORUS DERIVATIVES OF FINGOLIMOD AND RELATED S1 P RECEPTOR MODULATORS S1PR1, S1PR3, FFAR1 TSHR 849/4885ALPG 2212/4885PTK2B 1731/4885

“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.