SCHEMBL3207970

SCHEMBL3207970

CC1(C)OC[C@H](CCCO)N1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.31

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
SCHEMBL2844999 1.00 SPHK1 (0.31) SPHK1
SCHEMBL2316548 1.00 SPHK1 (0.31) SPHK1
SCHEMBL27847187 0.95 SPHK1 (0.30) SPHK1
SCHEMBL27847189 0.95 SPHK1 (0.30) SPHK1
SCHEMBL16053531 0.94 SPHK1 (0.32) SPHK1
SCHEMBL3213303 0.90
SCHEMBL3213291 0.90
SCHEMBL2867213 0.86 SPHK1 (0.30) SPHK1
SCHEMBL3226859 0.86 SPHK1 (0.30) SPHK1
SCHEMBL18938507 0.84 SPHK1 (0.42) SPHK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796272-B2 Glycine transporter-inhibiting substances TAISHO PHARMACEUTICAL CO., LTD (JP) 2014-08-05 US disclosed
US-20130331571-A1 GLYCINE TRANSPORTER-INHIBITING SUBSTANCES TAISHO PHARMACEUTICAL CO., LTD (JP) 2013-12-12 US disclosed
US-20100063013-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD. (CA) 2010-03-11 US 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 (2 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-20130331571-A1 GLYCINE TRANSPORTER-INHIBITING SUBSTANCES SLC1A2, SLC18A2, SLC6A1 SPHK1 4100/4885
US-20100063013-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS CTSS, CTSB, CTSZ SPHK1 2421/4885

“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.