SCHEMBL417314

SCHEMBL417314

CCOC(=O)C1CC[C@@H]2CCC[C@H]12

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PPM1B O75688 1/20 0.37
PTPN1 P18031 1/20 0.37
PPP1CC P36873 1/20 0.37
MAPT P10636 4/20 0.36
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA9 Q16790 2/20 0.35
TLR4 O00206 1/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL31017143 1.00 ALDH1A1 (0.37) ALDH1A1MEN1KMT2APPM1BPTPN1
SCHEMBL3003560 0.93 ALDH1A1 (0.41) ALDH1A1MEN1KMT2APPM1BPTPN1
SCHEMBL7733838 0.93 ALDH1A1 (0.41) ALDH1A1MEN1KMT2APPM1BPTPN1
SCHEMBL14870941 0.91 ALDH1A1 (0.43) ALDH1A1MEN1KMT2APPM1BPTPN1
SCHEMBL15800125 0.89 ALDH1A1 (0.36) ALDH1A1MEN1KMT2APPM1BPTPN1
SCHEMBL15800134 0.87 ALDH1A1 (0.34) ALDH1A1KMT2APPM1BPTPN1PPP1CC
SCHEMBL14870925 0.87 ALDH1A1 (0.34) ALDH1A1KMT2APPM1BPTPN1PPP1CC
SCHEMBL5791354 0.86 ALDH1A1 (0.37) ALDH1A1MEN1KMT2APPM1BPTPN1
SCHEMBL16306571 0.83 PPM1B (0.40) ALDH1A1MEN1KMT2APPM1BPTPN1
SCHEMBL5750745 0.82 ALDH1A1 (0.44) ALDH1A1MEN1KMT2APPM1BPTPN1

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-20140294763-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2014-10-02 US disclosed
US-8529882-B2 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-10 US disclosed
US-20120282219-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-08 US disclosed
US-20120064034-A1 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-15 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-20140294763-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS CTSC, PREP, PEPD ALDH1A1 2218/4885MEN1 3086/4885KMT2A 3611/4885
US-20120064034-A1 Peptidomimetic protease inhibitors CTSC, PREP, PEPD ALDH1A1 2218/4885MEN1 3086/4885KMT2A 3611/4885
US-20120282219-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS CTSC, PEPD, PREP ALDH1A1 2639/4885MEN1 3270/4885KMT2A 3519/4885

“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.