SCHEMBL416797

SCHEMBL416797

CCC[C@H](N)C(O)C(=O)N[C@@H](C)C1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 9/20 0.55
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
MMP2 P08253 2/20 0.44
CA9 Q16790 2/20 0.44
CPB2 Q96IY4 1/20 0.43
METAP1 P53582 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
REN P00797 1/20 0.38
EPHX1 P07099 1/20 0.37
EPHX2 P34913 1/20 0.36
P2RX7 Q99572 1/20 0.36

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
SCHEMBL14974240 0.80 METAP2 (0.48) METAP2METAP1
SCHEMBL8491681 0.79 SMN1; SMN2 (0.46) METAP2SMN1; SMN2EPHX1EPHX2
SCHEMBL13338123 0.76 SMN1; SMN2 (0.42) METAP2SMN1; SMN2EPHX1
SCHEMBL19974844 0.75 METAP2 (0.56) METAP2CA12CA1CA2MMP2
SCHEMBL329193 0.75 SMYD3 (0.43) METAP2METAP1SMN1; SMN2
SCHEMBL328991 0.75 SMYD3 (0.43) METAP2METAP1SMN1; SMN2
SCHEMBL3045972 0.75 SMYD3 (0.43) METAP2METAP1SMN1; SMN2
SCHEMBL13058644 0.75 SMYD3 (0.43) METAP2METAP1SMN1; SMN2
SCHEMBL329101 0.75 SMYD3 (0.43) METAP2METAP1SMN1; SMN2
SCHEMBL2331995 0.75 SMYD3 (0.43) METAP2METAP1SMN1; SMN2

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 20 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-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-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-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-20120064034-A1 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-15 US disclosed
EP-2371839-A1 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-10-05 EP disclosed
EP-2368901-A1 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-28 EP disclosed
EP-2368878-A1 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-28 EP 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
EP-1878720-B1 Process for preparing chiral bicycloprolinates as intermediates for the preparation of peptidomimetic protease inhibitors VERTEX PHARMA (US) 2010-10-06 EP disclosed
US-20100137583-A1 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2010-06-03 US disclosed
US-20100137583-A1 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2010-06-03 US disclosed
EP-1849797-A2 Peptidomimetic protease inhibitors Vertex Pharmaceuticals Incorporated (US) 2007-10-31 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 (4 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 METAP2 230/4885CA12 3776/4885CA1 3427/4885
US-20100137583-A1 Peptidomimetic protease inhibitors CTSC, PREP, PEPD METAP2 230/4885CA12 3776/4885CA1 3427/4885
US-20120064034-A1 Peptidomimetic protease inhibitors CTSC, PREP, PEPD METAP2 230/4885CA12 3776/4885CA1 3427/4885
US-20120282219-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS CTSC, PEPD, PREP METAP2 172/4885CA12 3577/4885CA1 3726/4885

“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.