SCHEMBL2220322

SCHEMBL2220322

COC(=O)c1ncc(COc2ccc(F)c(Cl)c2)c(CO)c1O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
SCN9A Q15858 3/20 0.39
SCN5A Q14524 1/20 0.39
MAOB P27338 2/20 0.38
PPARG P37231 2/20 0.37
MAPT P10636 4/20 0.37
NPC1 O15118 2/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CASP3 P42574 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
MAOA P21397 1/20 0.35
HIF1A Q16665 1/20 0.35
HDAC1 Q13547 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
SCHEMBL1503300 0.92 ADAMTS4 (0.37) ALDH1A1SCN9ASCN5AMAOBMAPT
SCHEMBL1503299 0.89 SCN9A (0.36) ALDH1A1SCN9ASCN5AMAOBMAPT
SCHEMBL22738223 0.89 SCN9A (0.41) SCN9ASCN5AMAOBPPARGMAPT
SCHEMBL30954808 0.88 HDAC1 (0.41) SCN9ASCN5AMAOBPPARGMAPT
SCHEMBL1503267 0.88 HDAC1 (0.41) SCN9ASCN5AMAOBPPARGMAPT
SCHEMBL4304503 0.88 PPARG (0.41) SCN9ASCN5AMAOBPPARGMAPT
SCHEMBL1503165 0.87 ALDH1A1 (0.41) ALDH1A1SCN9ASCN5AMAOBPPARG
SCHEMBL22719903 0.86 GRIN1 (0.43) ALDH1A1SCN9ASCN5AMAPTHTT
SCHEMBL22738285 0.85 MEN1 (0.40) SCN9ASCN5AMAPTNPC1MAPK1
SCHEMBL1503187 0.85 ALDH1A1 (0.41) ALDH1A1MAOBMAPTNPC1RAB9A

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3687538-B1 METHODS OF TREATING ELEVATED PLASMA CHOLESTEROL MONTREAL HEART INST (CA) 2024-04-17 EP disclosed
US-11931348-B2 Methods of treating elevated plasma cholesterol Montréal Heart Institute (CA) 2024-03-19 US disclosed
US-20230088095-A1 METHODS OF TREATING ELEVATED PLASMA CHOLESTEROL Montréal Heart Institute (CA) 2023-03-23 US disclosed
US-20210369688-A1 METHODS OF TREATING ELEVATED PLASMA CHOLESTEROL MONTREAL HEART INSTITUTE (CA) 2021-12-02 US disclosed
EP-3687538-A1 METHODS OF TREATING ELEVATED PLASMA CHOLESTEROL Montreal Heart Institute (CA) 2020-08-05 EP disclosed
US-8742123-B2 HIV integrase inhibitors from pyridoxine TAIMED BIOLOGICS, INC. (TW) 2014-06-03 US disclosed
US-8742123-B2 HIV integrase inhibitors from pyridoxine TAIMED BIOLOGICS, INC. (TW) 2014-06-03 US disclosed
US-8742123-B2 HIV integrase inhibitors from pyridoxine TAIMED BIOLOGICS, INC. (TW) 2014-06-03 US disclosed
US-20110178120-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE AMBRILIA BIOPHARMA, INC. (CA) 2011-07-21 US disclosed
US-20110178120-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE AMBRILIA BIOPHARMA, INC. (CA) 2011-07-21 US disclosed
US-20110178120-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE AMBRILIA BIOPHARMA, INC. (CA) 2011-07-21 US disclosed
CN-102112447-A HIV integrase inhibitors from pyridoxine AMBRILIA BIOPHARMA INC 2011-06-29 CN disclosed
WO-2009146555-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE AMBRILIA BIOPHARMA INC. (CA) 2009-12-10 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 (4 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-20210369688-A1 METHODS OF TREATING ELEVATED PLASMA CHOLESTEROL CETP, LDLR, APOB ALDH1A1 568/4885SCN9A 3455/4885SCN5A 1975/4885
US-20110178120-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE PNPO, CCNB1, BLVRB ALDH1A1 334/4885SCN9A 3932/4885SCN5A 3760/4885
US-11931348-B2 Methods of treating elevated plasma cholesterol CETP, LDLR, APOB ALDH1A1 568/4885SCN9A 3455/4885SCN5A 1975/4885
US-20230088095-A1 METHODS OF TREATING ELEVATED PLASMA CHOLESTEROL CETP, LDLR, APOB ALDH1A1 568/4885SCN9A 3455/4885SCN5A 1975/4885

“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.