SCHEMBL6896745

SCHEMBL6896745

C[C@H](NC(=O)N(CCO[Si](C)(C)C(C)(C)C)CCC1=CCCCC1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
MAPK1 P28482 2/20 0.39
ALDH1A1 P00352 5/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
NPC1 O15118 1/20 0.36
ALOX15 P16050 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
ATM Q13315 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
RECQL P46063 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
SCHEMBL6895619 0.82 KMT2A (0.46) KMT2AMAPK1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL27541556 0.82 KMT2A (0.46) KMT2AMAPK1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL7723819 0.79 EPHX1 (0.39) KMT2AMAPK1ALDH1A1SMN1; SMN2MAPT
SCHEMBL6896973 0.78 LPAR1 (0.40) KMT2AMEN1
SCHEMBL6896941 0.77 LPAR1 (0.34)
SCHEMBL6894745 0.77 LTA4H (0.33)
SCHEMBL6898559 0.76 MCHR1 (0.32) KMT2A
SCHEMBL27538345 0.69 CYP17A1 (0.36) ALDH1A1MAPTL3MBTL1NPSR1RECQL
SCHEMBL27538343 0.69 CYP17A1 (0.36) ALDH1A1MAPTL3MBTL1NPSR1RECQL
SCHEMBL6897115 0.69 ALDH1A1 (0.44) MAPK1ALDH1A1SMN1; SMN2MAPTHPGD

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-6730784-B2 AS THERAPEUTIC AGENTS FOR AUTOIMMUNE DISEASES SUCH AS RHEUMATOID ARTHRITIS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2004-05-04 US disclosed
US-20020198376-A1 Novel urea derivatives SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-12-26 US disclosed
US-6492370-B1 Urea derivatives and pharmaceutical compositions thereof SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-12-10 US disclosed
EP-1072591-A1 NOVEL UREA DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-01-31 EP 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 (1 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-20020198376-A1 Novel urea derivatives TNF, CTH, CFH KMT2A 4759/4885MAPK1 2297/4885ALDH1A1 1309/4885

“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.