SCHEMBL4672280

SCHEMBL4672280

CC(C)[C@H](OC(=O)Nc1cccc2c1[nH]c1ccccc12)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.51
TP53 P04637 1/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51
KLK7 P49862 1/20 0.51
PARP14 Q460N5 18/20 0.49

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
SCHEMBL27590810 1.00 JAK2 (0.51) JAK2TP53MAPTHTTKLK7
SCHEMBL7300480 0.81 KDM4E (0.57) MAPT
SCHEMBL20887144 0.76 TP53 (0.61) JAK2TP53MAPTHTTKLK7
SCHEMBL3077145 0.75 JAK2 (0.68) JAK2TP53MAPTHTTKLK7
SCHEMBL31488020 0.74 PARP14 (0.81) JAK2TP53MAPTHTTKLK7
SCHEMBL3878367 0.74 PARP14 (0.81) JAK2TP53MAPTHTTKLK7
SCHEMBL4652104 0.72 CASP3 (0.55) TP53MAPTHTTKLK7
SCHEMBL7308499 0.72 CASP3 (0.55) TP53MAPTHTTKLK7
SCHEMBL20887147 0.72 PARP14 (0.82) JAK2TP53MAPTHTTKLK7
SCHEMBL9418204 0.71 JAK2 (0.66) JAK2TP53MAPTHTTKLK7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1923386-A2 Carbamate caspase inhibitors and uses thereof Vertex Pharmceuticals Incorporated (US) 2008-05-21 EP disclosed
EP-1268425-B1 CARBAMATE CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMA (US) 2008-01-23 EP disclosed
CN-100358869-C Carbamate caspase inhibitors and uses thereof VERTEX PHARMA (US) 2008-01-02 CN disclosed
CN-1994298-A Carbamate aspartic acid specific cysteine proteinase inhibitors and uses thereof VERTEX PHARMA (US) 2007-07-11 CN disclosed
US-7074782-B2 Carbamate caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-07-11 US disclosed
US-20040053920-A1 Carbamate caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2004-03-18 US disclosed
US-6689784-B2 CONTROLLING CELL APOPTOSIS VERTEX PHARMACEUTICALS INCORPORATED 2004-02-10 US disclosed
CN-1422253-A Carbamate caspase inhibitors and uses thereof VERTEX PHARMA (US) 2003-06-04 CN disclosed
EP-1268425-A2 CARBAMATE CASPASE INHIBITORS AND USES THEREOF Vertex Pharmaceuticals Incorporated (US) 2003-01-02 EP disclosed
US-20020028803-A1 Carbamate caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2002-03-07 US disclosed
WO-2001072707-A2 CARBAMATE CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2001-10-04 WO 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-20020028803-A1 Carbamate caspase inhibitors and uses thereof CASP1, CASP2, CASP3 JAK2 1913/4885TP53 1052/4885MAPT 4419/4885
US-20040053920-A1 Carbamate caspase inhibitors and uses thereof CASP1, CASP2, CASP3 JAK2 1913/4885TP53 1052/4885MAPT 4419/4885

“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.