SCHEMBL13640446

SCHEMBL13640446

CC1(C(O)C(=O)O)CCC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
NFKB1 P19838 1/20 0.47
CYP2C19 P33261 1/20 0.47
FFAR3 O14843 1/20 0.36
TP53 P04637 1/20 0.35
GRIK1 P39086 2/20 0.33
GRIK2 Q13002 1/20 0.33
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 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
SCHEMBL8277249 0.95 TSHR (0.42) TSHRNFKB1CYP2C19FFAR3TP53
SCHEMBL8277960 0.93 CYP2C19 (0.41) TSHRNFKB1CYP2C19FFAR3TP53
SCHEMBL15085805 0.90
SCHEMBL8277385 0.75 TSHR (0.33) TSHRNFKB1CYP2C19FFAR3
SCHEMBL23462330 0.73 SLC1A2 (0.47) TSHRNFKB1CYP2C19FFAR3GRIK1
SCHEMBL23005570 0.73 SLC1A2 (0.47) TSHRNFKB1CYP2C19FFAR3GRIK1
SCHEMBL8277388 0.73 ALDH1A1 (0.34) TSHRNFKB1CYP2C19
SCHEMBL23462331 0.73 SLC1A2 (0.47) TSHRNFKB1CYP2C19FFAR3GRIK1
SCHEMBL25220493 0.72 TSHR (0.39) TSHRNFKB1CYP2C19TP53
SCHEMBL13201636 0.71 TSHR (0.31) TSHRNFKB1CYP2C19

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-20150025250-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LTD 2015-01-22 US disclosed
US-8859605-B2 Cysteine protease inhibitors MEDIVIR UK LTD (GB) 2014-10-14 US disclosed
US-8815809-B2 Cysteine protease inhibitors MEDIVIR UK LTD (GB) 2014-08-26 US disclosed
US-20120309673-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LTD (GB) 2012-12-06 US disclosed
US-20120283305-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LTD (GB) 2012-11-08 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 (3 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-20150025250-A1 CYSTEINE PROTEASE INHIBITORS CTSB, CTSS, CTRB1 TSHR 1228/4885NFKB1 2423/4885CYP2C19 796/4885
US-20120309673-A1 CYSTEINE PROTEASE INHIBITORS CTSB, CTSS, CTRB1 TSHR 1353/4885NFKB1 2745/4885CYP2C19 653/4885
US-20120283305-A1 CYSTEINE PROTEASE INHIBITORS CTSS, CTSB, CTRB1 TSHR 1384/4885NFKB1 3141/4885CYP2C19 1124/4885

“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.