SCHEMBL6896657

SCHEMBL6896657

CC(C)(C)OC[C@H](NC(=O)N(CCO)CCc1ccccc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRN P28799 1/20 0.43
SORT1 Q99523 1/20 0.43
LPAR1 Q92633 4/20 0.42
PPARA Q07869 4/20 0.42
PYGL P06737 1/20 0.39
CYP2C9 P11712 1/20 0.39
PPARG P37231 3/20 0.38
MME P08473 1/20 0.37
ACE P12821 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PPARD Q03181 1/20 0.37
MMP1 P03956 1/20 0.37
MMP3 P08254 1/20 0.37
PRSS1 P07477 1/20 0.37
CTSG P08311 1/20 0.37
CTRB1 P17538 1/20 0.37

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
SCHEMBL6896652 1.00 GRN (0.43) GRNSORT1LPAR1PPARAPYGL
SCHEMBL6897947 0.86 LPAR1 (0.39) GRNSORT1LPAR1PPARAPYGL
SCHEMBL6897951 0.86 LPAR1 (0.39) GRNSORT1LPAR1PPARAPYGL
SCHEMBL6897939 0.83 LPAR1 (0.54) LPAR1MMEACEMEN1NPC1
SCHEMBL6891317 0.82 LPAR1 (0.53) LPAR1MMEACE
SCHEMBL27538262 0.82 LPAR1 (0.53) LPAR1MMEACE
SCHEMBL6895388 0.82 LPAR1 (0.53) LPAR1MMEACE
SCHEMBL6889341 0.81 LPAR1 (0.56) LPAR1MMEACE
SCHEMBL6898194 0.81 LPAR1 (0.43) LPAR1MMEACEMEN1NPC1
SCHEMBL27559953 0.81 LPAR1 (0.43) LPAR1MMEACEMEN1NPC1

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 GRN 1445/4885SORT1 4476/4885LPAR1 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.