SCHEMBL6893733

SCHEMBL6893733

O=C(O)[C@H](Cc1ccccc1)NC(=O)N(CCCO)CCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 3/20 0.56
LMNA P02545 1/20 0.49
MME P08473 4/20 0.47
ACE P12821 2/20 0.47
NPSR1 Q6W5P4 1/20 0.46
CPA1 P15085 1/20 0.45
ACE2 Q9BYF1 1/20 0.45
PTPN1 P18031 1/20 0.45
NAALAD2 Q9Y3Q0 1/20 0.45
MMP1 P03956 1/20 0.45
MMP3 P08254 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
CTSG P08311 1/20 0.43
CMA1 P23946 1/20 0.43
POLB P06746 1/20 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
SCHEMBL27559925 1.00 LPAR1 (0.56) LPAR1LMNAMMEACENPSR1
SCHEMBL6895388 0.92 LPAR1 (0.53) LPAR1LMNAMMEACENPSR1
SCHEMBL27538262 0.92 LPAR1 (0.53) LPAR1LMNAMMEACENPSR1
SCHEMBL6891317 0.92 LPAR1 (0.53) LPAR1LMNAMMEACENPSR1
SCHEMBL6895621 0.88 MME (0.57) LPAR1MMEACECPA1ACE2
SCHEMBL6896715 0.86 ACE (0.54) LPAR1MMEACECPA1ACE2
SCHEMBL27538610 0.86 LPAR1 (0.52) LPAR1MMEACENPSR1CPA1
SCHEMBL6899205 0.86 LPAR1 (0.52) LPAR1MMEACENPSR1CPA1
SCHEMBL7051183 0.85 ALDH1A1 (0.55) LPAR1LMNAMMEACENPSR1
SCHEMBL6890555 0.85 LPAR1 (0.48) LPAR1LMNAMMEACECPA1

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 LPAR1 4229/4885LMNA 4204/4885MME 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.