SCHEMBL6893352

SCHEMBL6893352

CC(=O)SCCN(CCc1ccccc1)C(=O)NCC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.39
PPARA Q07869 4/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ABCC3 O15438 1/20 0.38
NR1I2 O75469 1/20 0.38
ABCB11 O95342 1/20 0.38
NR3C1 P04150 1/20 0.38
RARG P13631 1/20 0.38
CNR1 P21554 1/20 0.38
OPRK1 P41145 1/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
NR1I3 Q14994 1/20 0.38
LPAR1 Q92633 1/20 0.38
PTPRC P08575 2/20 0.38
IDO1 P14902 1/20 0.38

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
SCHEMBL6893650 0.90 SIGMAR1 (0.40) SIGMAR1PPARACYP1A2CYP3A4CYP2D6
SCHEMBL6895590 0.86 LPAR1 (0.47) SIGMAR1CYP2D6CYP2C9CYP2C19LPAR1
SCHEMBL6890735 0.85 USP2 (0.42) SIGMAR1LPAR1PTPRCPOLBNPC1
SCHEMBL27560009 0.82 KLK5 (0.40) PPARALPAR1CTSKPPARGPPARD
SCHEMBL27560013 0.82 KLK5 (0.40) PPARALPAR1CTSKPPARGPPARD
SCHEMBL27560006 0.82 POLB (0.41) PPARALPAR1IDO1POLBTDP1
SCHEMBL27560003 0.82 POLB (0.41) PPARALPAR1IDO1POLBTDP1
SCHEMBL27562659 0.82 POLB (0.41) PPARALPAR1IDO1POLBTDP1
SCHEMBL6895410 0.81 CTSL (0.41) PPARACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL27538294 0.81 MMP1 (0.44) LPAR1POLBTDP1CTSKCTSS

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 SIGMAR1 26/4885PPARA 3847/4885CYP1A2 2011/4885

“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.