SCHEMBL6891229

SCHEMBL6891229

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 1/20 0.38
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 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
TGFBR1 P36897 1/20 0.30
MEN1 O00255 1/20 0.30
TP53 P04637 1/20 0.30
KMT2A Q03164 1/20 0.30
ALDH1A1 P00352 2/20 0.30
CTSB P07858 1/20 0.30
PIK3CD O00329 1/20 0.30
KDM4E B2RXH2 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL6895855 0.81 LPAR1 (0.35) LPAR1CA12CA1CA9
SCHEMBL27538324 0.81 LPAR1 (0.35) LPAR1CA12CA1CA9
SCHEMBL27538340 0.81 RECQL (0.34) CA12MEN1KMT2AALDH1A1
SCHEMBL6896941 0.80 LPAR1 (0.34) LPAR1CA12CA1CA9
SCHEMBL6898001 0.79 CASP1 (0.43) LPAR1MEN1KMT2AALDH1A1KDM4E
SCHEMBL6898838 0.78 ALDH1A1 (0.34) LPAR1CA12CA1CA9MME
SCHEMBL6897600 0.78 TGFBR1 (0.33) LPAR1CA12CA1CA9MME
SCHEMBL27538246 0.78 TGFBR1 (0.33) LPAR1CA12CA1CA9MME
SCHEMBL6897260 0.76 MCHR1 (0.35) LPAR1CA12CA1CA9MME
SCHEMBL6896598 0.75 LTA4H (0.39) LPAR1CA12CA1CA9MME

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 LPAR1 4229/4885CA12 4487/4885CA1 3966/4885

“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.