SCHEMBL6898401

SCHEMBL6898401

O=C(O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)N(CCO)CCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.56
GPR34 Q9UPC5 9/20 0.55
MME P08473 1/20 0.53
ACE P12821 1/20 0.53
CPA1 P15085 1/20 0.53
ACE2 Q9BYF1 1/20 0.53
GPR132 Q9UNW8 2/20 0.50
LTA4H P09960 1/20 0.50
EPHX2 P34913 1/20 0.50
YAP1 P46937 1/20 0.50
FFAR1 O14842 1/20 0.49
FFAR4 Q5NUL3 1/20 0.49
ALOX5 P09917 1/20 0.48

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
SCHEMBL27559954 1.00 PPARG (0.56) PPARGGPR34MMEACECPA1
SCHEMBL6891317 0.89 LPAR1 (0.53) MMEACECPA1ACE2
SCHEMBL27538262 0.89 LPAR1 (0.53) MMEACECPA1ACE2
SCHEMBL6895388 0.89 LPAR1 (0.53) MMEACECPA1ACE2
SCHEMBL6897944 0.88 KMT2A (0.61) PPARGMMEACEALOX5
SCHEMBL6896715 0.88 ACE (0.54) MMEACECPA1ACE2
SCHEMBL6895621 0.87 MME (0.57) MMEACECPA1ACE2
SCHEMBL7681540 0.86 LPAR1 (0.48) PPARGMMEACECPA1ACE2
SCHEMBL6896980 0.86 LPAR1 (0.48) PPARGMMEACECPA1ACE2
SCHEMBL6890555 0.84 LPAR1 (0.48) GPR34MMEACECPA1ACE2

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 PPARG 3342/4885GPR34 1753/4885MME 1516/4885

“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.