SCHEMBL6897256

SCHEMBL6897256

CC(=O)SC[C@@H](Cc1ccccc1)NC(=O)N(CCC(C)C)CC(=O)NCCN(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
ANPEP P15144 1/20 0.37
RNPEP Q9H4A4 1/20 0.37
DNPEP Q9ULA0 1/20 0.37
FCER2 P06734 1/20 0.36
CYP3A4 P08684 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ABCC3 O15438 1/20 0.35
NR1I2 O75469 1/20 0.35
ABCB11 O95342 1/20 0.35
NR3C1 P04150 1/20 0.35
RARG P13631 1/20 0.35
CNR1 P21554 1/20 0.35
OPRK1 P41145 1/20 0.35
NR1H2 P55055 1/20 0.35

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
SCHEMBL6897114 1.00 MME (0.38) MMELMNAPKMANPEPRNPEP
SCHEMBL7684657 1.00 MME (0.38) MMELMNAPKMANPEPRNPEP
SCHEMBL6898261 0.88 CYP3A4 (0.46) MMELMNAPKMANPEPRNPEP
SCHEMBL6898138 0.88 CYP3A4 (0.46) MMELMNAPKMANPEPRNPEP
SCHEMBL6735727 0.87 MME (0.40) MMEANPEPRNPEPDNPEPFCER2
SCHEMBL6895506 0.83 CTSB (0.45) LMNAPKMCTSB
SCHEMBL6895501 0.83 CTSB (0.45) LMNAPKMCTSB
SCHEMBL6731374 0.82 MME (0.48) MMEFCER2ACE
SCHEMBL6731672 0.80 ATM (0.42) CYP3A4CTSB
SCHEMBL6736614 0.77 MME (0.39) MMECYP3A4CYP1A2CYP2D6CYP2C9

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 MME 1516/4885LMNA 4204/4885PKM 4175/4885

“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.