SCHEMBL20856249

SCHEMBL20856249

CCON(c1ccccc1)C(CCSC)C(=O)OP(=O)(O)Cl

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.33
KMT2A Q03164 3/20 0.32
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 2/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31
NPC1 O15118 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
FNTA P49354 4/20 0.31
FNTB P49356 4/20 0.31

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
SCHEMBL22321970 0.89 KMT2A (0.34) POLBKMT2AL3MBTL1MMP1MMP2
SCHEMBL10004534 0.82 NPC1 (0.36) POLBALDH1A1MMP2MMP3MMP9
SCHEMBL20856173 0.80 SMN1; SMN2 (0.38) POLBKMT2AALDH1A1MEN1NPC1
SCHEMBL7795340 0.80 SMN1; SMN2 (0.38) POLBKMT2AALDH1A1MEN1NPC1
SCHEMBL7213785 0.77 FNTA (0.35) POLBKMT2AL3MBTL1MMP1MMP2
SCHEMBL20162538 0.76 ALDH1A1 (0.35) POLBKMT2AALDH1A1MEN1L3MBTL1
SCHEMBL4268833 0.73 POLB (0.33) POLBKMT2AALDH1A1MEN1L3MBTL1
SCHEMBL12501798 0.72 TAS1R3 (0.35) POLBKMT2AALDH1A1MEN1L3MBTL1
SCHEMBL20856237 0.72 HSD17B10 (0.40) MMP1MMP2MMP3MMP9
SCHEMBL7114956 0.71 LAP3 (0.44) ALDH1A1LMNA

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 4 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
EP-3675869-A1 PHOSPHORODIAMIDATES AND OTHER PHOSPHORUS DERIVATIVES OF FINGOLIMOD AND RELATED S1 P RECEPTOR MODULATORS University College Cardiff Consultants Ltd (GB) 2020-07-08 EP disclosed
WO-2019064012-A1 PHOSPHORODIAMIDATES AND OTHER PHOSPHORUS DERIVATIVES OF FINGOLIMOD AND RELATED S1 P RECEPTOR MODULATORS UNIVERSITY COLLEGE CARDIFF CONSULTANTS LTD (GB) 2019-04-04 WO 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 POLB 1523/4885KMT2A 912/4885ALDH1A1 3955/4885
US-20200255460-A1 PHOSPHORODIAMIDATES AND OTHER PHOSPHORUS DERIVATIVES OF FINGOLIMOD AND RELATED S1 P RECEPTOR MODULATORS S1PR1, S1PR3, FFAR1 POLB 1818/4885KMT2A 1306/4885ALDH1A1 3967/4885

“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.