SCHEMBL6898838

SCHEMBL6898838

C=CCCN(CCO)C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
LPAR1 Q92633 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
FAAH O00519 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC6A5 Q9Y345 1/20 0.32
MME P08473 1/20 0.32
ACE P12821 1/20 0.32
CPA1 P15085 1/20 0.32
ACE2 Q9BYF1 1/20 0.32

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
SCHEMBL27538384 0.82 USP2 (0.37) SMN1; SMN2
SCHEMBL27538383 0.82 USP2 (0.37) SMN1; SMN2
SCHEMBL27559938 0.81 ALDH1A1 (0.31) ALDH1A1MAPTLPAR1
SCHEMBL6896007 0.81 ALDH1A1 (0.31) ALDH1A1MAPTLPAR1
SCHEMBL6897600 0.81 TGFBR1 (0.33) ALDH1A1MAPTLPAR1CA12CA1
SCHEMBL27538246 0.81 TGFBR1 (0.33) ALDH1A1MAPTLPAR1CA12CA1
SCHEMBL6891229 0.78 LPAR1 (0.38) ALDH1A1LPAR1CA12CA1CA9
SCHEMBL6897260 0.76 MCHR1 (0.35) MAPTLPAR1CA12CA1CA9
SCHEMBL6896598 0.75 LTA4H (0.39) LPAR1CA12CA1CA9SMN1; SMN2
SCHEMBL14639284 0.74 ABCC4 (0.34) ALDH1A1MAPTCA12CA1CA9

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 ALDH1A1 1309/4885MAPT 2496/4885LPAR1 4229/4885

“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.