SCHEMBL4258637

SCHEMBL4258637

NC(=O)CCC(=O)NCl.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.39
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PRMT1 Q99873 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MMP2 P08253 2/20 0.35
MMP9 P14780 2/20 0.35
LMNA P02545 1/20 0.35
KDM1A O60341 1/20 0.34
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 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
SCHEMBL27501779 0.85 CYP3A4 (0.40) CYP3A4TDP1L3MBTL1ESR1ESR2
Bromide SCHEMBL29213552 0.80 CYP3A4 (0.46) CYP3A4TDP1L3MBTL1ESR1ESR2
SCHEMBL264229 0.79
Carbamic Acid SCHEMBL27641323 0.74 CYP3A4 (0.67) CYP3A4TDP1L3MBTL1ESR1ESR2
SCHEMBL7445508 0.71 MEN1 (0.42) CYP3A4L3MBTL1KDM4ESMN1; SMN2HDAC2
Hydrazinecarboxamide SCHEMBL9305289 0.71 CYP3A4 (0.55) CYP3A4TDP1L3MBTL1ESR1ESR2
Succinic Acid SCHEMBL7629002 0.71 CYP3A4 (0.60) CYP3A4TDP1L3MBTL1ESR1ESR2
Acetamide SCHEMBL28782962 0.71 CYP3A4 (0.60) CYP3A4TDP1L3MBTL1ESR1ESR2
SCHEMBL3353284 0.71 L3MBTL1 (0.72) CYP3A4L3MBTL1KDM4ESMN1; SMN2KDM1A
SCHEMBL5079803 0.70 CYP3A4 (0.67) CYP3A4TDP1L3MBTL1ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10138190-B2 Process for preparation of ospemifene GLENMARK PHARMACEUTICALS LIMITED (IN) 2018-11-27 US disclosed
US-20180022674-A1 PROCESS FOR PREPARATION OF OSPEMIFENE GLENMARK LIFE SCIENCES LIMITED (IN) 2018-01-25 US disclosed
WO-2016110805-A1 PROCESS FOR PREPARATION OF OSPEMIFENE GLENMARK PHARMACEUTICALS LIMITED (IN) 2016-07-14 WO disclosed
US-7625896-B2 Pyridylsulfonamide derivatives HOFFMAN-LA ROCHE INC. (US) 2009-12-01 US disclosed
EP-1904471-B1 HETEROARYLETHENYL DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS HOFFMANN LA ROCHE (CH) 2009-10-21 EP disclosed
EP-1960361-A1 PYRIDYLSULFONAMIDE DERIVATIVES, THEIR MANUFACTURE AND USE AS ANTINEOPLASTIC AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-08-27 EP disclosed
EP-1904471-A1 HETEROARYLETHENYL DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-04-02 EP disclosed
EP-1888519-A2 STYRYLSULFONAMIDES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-02-20 EP disclosed
WO-2007059872-A1 PYRIDYLSULFONAMIDE DERIVATIVES, THEIR MANUFACTURE AND USE AS ANTINEOPLASTIC AGENTS F. HOFFMNN-LA ROCHE AG (CH) 2007-05-31 WO disclosed
US-20070123513-A1 6-thiomorpholin-4-yl-pyridine-3-sulfonic acid 4-chloro-2-methoxy-benzoylamide; ammonium salt of3-methyl-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-5'-sulfonic acid 4-chloro-2-methoxy-benzoylamide; anticarcinogenic agent HOFFMANN-LA ROCHE INC. 2007-05-31 US disclosed
WO-2007054139-A2 STYRYLSULFONAMIDES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-05-18 WO disclosed
US-7208526-B2 For example, (E)-2-(4-Chloro-phenyl)-ethenesulfonic acid 2,4-dichloro-benzoylamide; for use in the control or prevention of illnesses such as cancer; antitumor agents HOFFMANN-LA ROCHE INC. (US) 2007-04-24 US disclosed
US-7208506-B2 Heteroarylethenyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2007-04-24 US disclosed
WO-2007006459-A1 HETEROARYLETHENYL DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2007-01-18 WO disclosed
US-20070010564-A1 Heteroarylethenyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2007-01-11 US disclosed
US-20060270874-A1 Styrylsulfonamides HOFFMANN-LA ROCHE INC. 2006-11-30 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 (5 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-20070123513-A1 6-thiomorpholin-4-yl-pyridine-3-sulfonic acid 4-chloro-2-methoxy-benzoylamide; ammonium salt of3-methyl-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-5'-sulfonic acid 4-chloro-2-methoxy-benzoylamide; anticarcinogenic agent TPMT, BPNT1, SLC6A3 CYP3A4 264/4885TDP1 1208/4885L3MBTL1 1225/4885
US-10138190-B2 Process for preparation of ospemifene CYP3A4, MME, CYP4B1 CYP3A4 1/4885TDP1 4346/4885L3MBTL1 4044/4885
US-20070010564-A1 Heteroarylethenyl derivatives, their manufacture and use as pharmaceutical agents CYP3A43, CYP1A1, CYP3A5 CYP3A4 7/4885TDP1 3682/4885L3MBTL1 999/4885
US-20180022674-A1 PROCESS FOR PREPARATION OF OSPEMIFENE CYP3A4, MME, CYP4B1 CYP3A4 1/4885TDP1 4346/4885L3MBTL1 4044/4885
US-20060270874-A1 Styrylsulfonamides STS, SULT1E1, BRCA1 CYP3A4 222/4885TDP1 2026/4885L3MBTL1 2082/4885

“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.