SCHEMBL6897765

SCHEMBL6897765

CC(C)(C)OC(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.62
CTSL P07711 2/20 0.62
ATM Q13315 1/20 0.60
SYK P43405 1/20 0.59
BACE1 P56817 5/20 0.54
CTSK P43235 3/20 0.53
PPARG P37231 1/20 0.53
OPRK1 P41145 2/20 0.51
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
ALDH1A1 P00352 2/20 0.49
CYP1A2 P05177 2/20 0.49
POLB P06746 1/20 0.49
CYP3A4 P08684 1/20 0.49
CTSB P07858 1/20 0.49
CYP2D6 P10635 1/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL23837230 0.89 CTSS (0.60) CTSSCTSLATMSYKBACE1
SCHEMBL17724519 0.89 CTSS (0.60) CTSSCTSLATMSYKBACE1
SCHEMBL1824416 0.86 ATM (0.52) CTSSCTSLATMSYKBACE1
SCHEMBL13168601 0.86 ATM (0.69) CTSSCTSLATMPPARGOPRK1
SCHEMBL16215928 0.86 ATM (0.69) CTSSCTSLATMPPARGOPRK1
SCHEMBL18435386 0.86 CTSK (0.64) CTSSCTSLATMCTSKALDH1A1
SCHEMBL2943917 0.85 CTSS (0.67) CTSSCTSLATMSYKBACE1
SCHEMBL2943915 0.85 CTSS (0.67) CTSSCTSLATMSYKBACE1
SCHEMBL1825249 0.84 P2RX7 (0.55) CTSSCTSLATMSYKBACE1
SCHEMBL304548 0.84 CTSS (0.56) CTSSCTSLATMCTSKOPRK1

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 CTSS 625/4885CTSL 869/4885ATM 3616/4885

“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.