SCHEMBL6898887

SCHEMBL6898887

O=C(O)[C@H](Cc1ccccc1)NC(=O)N(CCO)CCC1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MME P08473 6/20 0.53
ACE P12821 4/20 0.49
CPA1 P15085 3/20 0.49
ACE2 Q9BYF1 3/20 0.49
ALDH1A1 P00352 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
BCHE P06276 1/20 0.45
LTA4H P09960 1/20 0.45
POLB P06746 1/20 0.45
EPHX2 P34913 2/20 0.44
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ITGB1 P05556 2/20 0.43
ITGA4 P13612 2/20 0.43

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
SCHEMBL27560005 0.87 REN (0.49) MMEACEBCHEPOLBTDP1
SCHEMBL6898131 0.86 MME (0.48) MMEACECPA1ACE2ALDH1A1
SCHEMBL27538229 0.86 MME (0.48) MMEACECPA1ACE2ALDH1A1
SCHEMBL6891317 0.81 LPAR1 (0.53) MMEACECPA1ACE2POLB
SCHEMBL6895388 0.81 LPAR1 (0.53) MMEACECPA1ACE2POLB
SCHEMBL27538262 0.81 LPAR1 (0.53) MMEACECPA1ACE2POLB
SCHEMBL27570917 0.78 MME (0.58) MMEACECPA1ACE2LMNA
SCHEMBL6897831 0.78 MME (0.58) MMEACECPA1ACE2LMNA
SCHEMBL6895621 0.77 MME (0.57) MMEACECPA1ACE2ITGB1
SCHEMBL6894998 0.76 LTA4H (0.42) MMEALDH1A1HSD17B10LTA4HPOLB

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 MME 1516/4885ACE 1063/4885CPA1 1148/4885

“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.