SCHEMBL464030

SCHEMBL464030

CCOC(=O)C1[C@H]2CCC(O)[C@H]2CN1C(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
AGTR2 P50052 2/20 0.43
ELANE P08246 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
HTR2C P28335 1/20 0.41
CYP2C19 P33261 1/20 0.40

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
SCHEMBL8280565 1.00 POLB (0.44) POLBAGTR2ELANESMN1; SMN2NPC1
SCHEMBL13350520 1.00 POLB (0.44) POLBAGTR2ELANESMN1; SMN2NPC1
SCHEMBL13318713 1.00 POLB (0.44) POLBAGTR2ELANESMN1; SMN2NPC1
SCHEMBL13091895 1.00 POLB (0.44) POLBAGTR2ELANESMN1; SMN2NPC1
SCHEMBL12011207 0.90 NPC1 (0.45) POLBAGTR2SMN1; SMN2NPC1RAB9A
SCHEMBL10256706 0.90 NPC1 (0.45) POLBAGTR2SMN1; SMN2NPC1RAB9A
SCHEMBL15701442 0.89 HTR2C (0.44) POLBAGTR2ELANESMN1; SMN2NPC1
SCHEMBL13318714 0.89 HTR2C (0.44) POLBAGTR2ELANESMN1; SMN2NPC1
SCHEMBL12011239 0.89 HTR2C (0.44) POLBAGTR2ELANESMN1; SMN2NPC1
SCHEMBL13091896 0.88 AGTR2 (0.42) POLBAGTR2ELANESMN1; SMN2NPC1

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 9 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
EP-2368877-B1 Peptidomimetic protease inhibitors and intermediates for their preparation As treatment for HCV infection VERTEX PHARMA (US) 2014-05-07 EP 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-8252923-B2 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-28 US disclosed
US-8252923-B2 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-28 US disclosed
US-20120064034-A1 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-15 US disclosed
US-7820671-B2 Hepatitis C antiviral agents including telaprevir (VX 950); higher tolerance, reduced side effects; azaheterocyclic amido ketone derivatives VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-26 US disclosed
US-7820671-B2 Hepatitis C antiviral agents including telaprevir (VX 950); higher tolerance, reduced side effects; azaheterocyclic amido ketone derivatives VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-26 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 POLB 2945/4885AGTR2 3549/4885ELANE 600/4885
US-20120064034-A1 Peptidomimetic protease inhibitors CTSC, PREP, PEPD POLB 2945/4885AGTR2 3549/4885ELANE 600/4885
US-20120282219-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS CTSC, PEPD, PREP POLB 2212/4885AGTR2 2383/4885ELANE 221/4885

“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.