SCHEMBL6895421

SCHEMBL6895421

CC(C)CCN(CCO)C(=O)NCC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
PTGS2 P35354 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4C Q9H3R0 2/20 0.34
ECE1 P42892 1/20 0.34
KDM4A O75164 1/20 0.34
PHF8 Q9UPP1 1/20 0.34
KDM2A Q9Y2K7 1/20 0.34
MME P08473 1/20 0.33
ACE P12821 1/20 0.33
CPA1 P15085 1/20 0.33
ACE2 Q9BYF1 1/20 0.33
PTPN1 P18031 1/20 0.33
PYGL P06737 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
LPAR1 Q92633 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 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
SCHEMBL6899270 0.84 PYGL (0.31) ALDH1A1PYGL
SCHEMBL6737432 0.79 CHRNB2 (0.38) ALDH1A1MAPT
SCHEMBL10778356 0.76 LPAR1 (0.52) ALDH1A1LMNAACELPAR1
SCHEMBL6889297 0.75 CYP1A2 (0.44) ALDH1A1LMNAMAPTCYP2D6CYP2C19
SCHEMBL27560039 0.73 ALDH1A1 (0.49) ALDH1A1LMNAMAPTMMELPAR1
SCHEMBL6894914 0.73 ALDH1A1 (0.49) ALDH1A1LMNAMAPTMMELPAR1
SCHEMBL12155305 0.72 USP2 (0.39) ALDH1A1TDP1KDM4CKDM4APHF8
SCHEMBL7762761 0.71 ALDH1A1 (0.39) ALDH1A1MAPTCYP2C19
SCHEMBL7724999 0.71 LMNA (0.49) ALDH1A1LMNAMAPT
SCHEMBL12155646 0.71 ALDH1A1 (0.38) ALDH1A1

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 5 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
CN-1299344-A Novel urea derivatives SANTEN PHARCEUMATICAL CO LTD (JP) 2001-06-13 CN 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 ALDH1A1 1309/4885LMNA 4204/4885MAPT 2496/4885

“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.