SCHEMBL960386

SCHEMBL960386

COC(=O)COc1ccc(NC(=O)c2nn(Cc3ccc(OC(F)F)cc3)c3ccc(F)cc23)cc1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 4/20 0.62
CPT1B Q92523 4/20 0.62
CPT2 P23786 1/20 0.42
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
AGTR1 P30556 2/20 0.40
POLB P06746 2/20 0.40
MAPT P10636 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
MCL1 Q07820 1/20 0.39
USP2 O75604 1/20 0.38
TP53 P04637 2/20 0.38
TLR9 Q9NR96 1/20 0.37
CNR1 P21554 1/20 0.37
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CXCR1 P25024 2/20 0.36
CXCR2 P25025 2/20 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
SCHEMBL959402 0.93 CPT1A (0.63) CPT1ACPT1BCPT2KMT2AMEN1
SCHEMBL961246 0.77 CPT1A (0.58) CPT1ACPT1BMAPTMCL1CNR1
SCHEMBL957856 0.75 CPT1A (0.75) CPT1ACPT1BCPT2KMT2AMEN1
SCHEMBL3784936 0.75 CPT1A (0.68) CPT1ACPT1BKMT2AMEN1POLB
SCHEMBL960086 0.75 CPT1A (0.70) CPT1ACPT1BCPT2KMT2AMEN1
SCHEMBL3789008 0.74 CPT1A (0.61) CPT1ACPT1BCPT2KMT2AMEN1
SCHEMBL958863 0.74 CPT1A (0.72) CPT1ACPT1BPOLBSMN1; SMN2CNR1
SCHEMBL958866 0.73 CPT1A (0.54) CPT1ACPT1BKMT2AMEN1MAPT
SCHEMBL960379 0.72 CPT1A (0.74) CPT1ACPT1B
SCHEMBL27850637 0.72 FFAR1 (0.40) CPT1ACPT1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071628-B2 Indazole derivatives HOFFMANN-LA ROCHE INC. (US) 2011-12-06 US disclosed
US-20110015234-A1 INDAZOLE DERIVATIVES ACKERMANN JEAN 2011-01-20 US disclosed
US-7858645-B2 Indazole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-12-28 US disclosed
EP-2079703-A1 INDAZOLE DERIVATIVES USEFUL AS L-CPT1 INHIBITORS F. Hoffmann-Roche AG (CH) 2009-07-22 EP disclosed
WO-2008052898-A1 INDAZOLE DERIVATIVES USEFUL AS L-CPT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-05-08 WO disclosed
US-20080103182-A1 INDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2008-05-01 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 (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-20080103182-A1 INDAZOLE DERIVATIVES CPT1A, CPT1B, CES1 CPT1A 1/4885CPT1B 2/4885CPT2 4/4885
US-20110015234-A1 INDAZOLE DERIVATIVES CPT1A, CPT1B, CES1 CPT1A 1/4885CPT1B 2/4885CPT2 4/4885

“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.