SCHEMBL6897729

SCHEMBL6897729

N[C@@H](Cc1cccs1)C(=O)Oc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.53
CTSC P53634 14/20 0.52
SLC1A3 P43003 1/20 0.47
SLC1A2 P43004 1/20 0.47
SLC1A1 P43005 1/20 0.47
CTSL P07711 1/20 0.44
CTSS P25774 1/20 0.44
RAB9A P51151 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
Hydrochloric Acid SCHEMBL6897726 0.99 CYP2C19 (0.51) CYP2C19CTSCSLC1A3SLC1A2SLC1A1
SCHEMBL2058609 0.80 CTSC (0.59) CYP2C19CTSCSLC1A3SLC1A2SLC1A1
SCHEMBL1631750 0.80 CTSC (0.59) CYP2C19CTSCSLC1A3SLC1A2SLC1A1
SCHEMBL19699149 0.80 CTSC (0.59) CYP2C19CTSCSLC1A3SLC1A2SLC1A1
SCHEMBL288244 0.79 CYP2C19 (0.70) CYP2C19CTSCSLC1A3SLC1A2SLC1A1
SCHEMBL43292 0.79 CYP2C19 (0.70) CYP2C19CTSCSLC1A3SLC1A2SLC1A1
SCHEMBL43293 0.79 CYP2C19 (0.70) CYP2C19CTSCSLC1A3SLC1A2SLC1A1
SCHEMBL7599942 0.79 CYP2C19 (0.49) CYP2C19CTSCCTSSRAB9A
Hydrochloric Acid SCHEMBL7066923 0.79 CTSC (0.58) CYP2C19CTSCSLC1A3SLC1A2SLC1A1
SCHEMBL20543720 0.79 CTSC (0.55) CYP2C19CTSCSLC1A3SLC1A2SLC1A1

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 CYP2C19 3652/4885CTSC 2352/4885SLC1A3 3946/4885

“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.