SCHEMBL2633665

SCHEMBL2633665

CC(C)CCC(=O)NCC(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
CA1 P00915 2/20 0.40
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
KCNJ11 Q14654 1/20 0.37
LMNA P02545 3/20 0.36
POLB P06746 2/20 0.36
P2RX7 Q99572 1/20 0.36
PKM P14618 1/20 0.35
KDM4E B2RXH2 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CNR1 P21554 3/20 0.33
CNR2 P34972 2/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL30548561 0.82 ALDH1A1 (0.36) ALDH1A1LMNAPOLBPKMKDM4E
SCHEMBL1693874 0.79 HPGD (0.44) ALDH1A1CTSSCTSKLMNAPOLB
SCHEMBL4565411 0.77 CASP2 (0.47) ALDH1A1LMNAPOLBKDM4EL3MBTL1
SCHEMBL2035994 0.76 KDM4E (0.39) ALDH1A1LMNAPOLBPKMKDM4E
SCHEMBL21658063 0.76 ALDH1A1 (0.52) ALDH1A1CA1LMNAPOLBP2RX7
SCHEMBL1768368 0.76 SLC1A1 (0.48)
SCHEMBL1768364 0.76 SLC1A1 (0.48)
Hydrochloric Acid SCHEMBL5707324 0.75 CASP2 (0.45) ALDH1A1LMNAPOLBKDM4EL3MBTL1
SCHEMBL30181819 0.75 CNR1 (0.39) ALDH1A1LMNAPOLBPKMKDM4E
SCHEMBL13407576 0.75 CNR1 (0.39) ALDH1A1LMNAPOLBKDM4ESMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130310340-A1 METHOD OF TREATING MUSCULAR DEGRADATION RIGEL PHARMACEUTICALS, INC. (US) 2013-11-21 US disclosed
EP-2559694-A2 Azaindoles useful as inhibitors of Janus kinases Vertex Pharmaceuticals, Inc. (US) 2013-02-20 EP disclosed
EP-2537849-A2 Azaindoles useful as inhibitors of janus kinases Vertex Pharmaceuticals, Inc. (US) 2012-12-26 EP disclosed
US-8163917-B2 Azaindoles useful as inhibitors of Janus kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-24 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 (1 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-20130310340-A1 METHOD OF TREATING MUSCULAR DEGRADATION PYGM, CKMT1A; CKMT1B, SMN1; SMN2 ALDH1A1 1984/4885CA1 3534/4885CTSS 1630/4885

“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.