SCHEMBL961246

SCHEMBL961246

CCOC(=O)c1nn(Cc2ccc(OC(F)F)cc2)c2ccc(F)cc12

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 3/20 0.58
CPT1B Q92523 3/20 0.58
ELANE P08246 10/20 0.50
MCL1 Q07820 1/20 0.48
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
F2RL3 Q96RI0 1/20 0.40
PER2 O15055 1/20 0.39
CNR1 P21554 1/20 0.39
THRB P10828 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39

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
SCHEMBL3784936 0.86 CPT1A (0.68) CPT1ACPT1BMCL1PER2CNR1
SCHEMBL3789008 0.85 CPT1A (0.61) CPT1ACPT1BMCL1PER2CNR1
SCHEMBL959127 0.83 CPT1A (0.42) CPT1ACPT1BELANEMCL1F2RL3
SCHEMBL962070 0.83 ELANE (0.51) ELANEMCL1KDM4EMAPTPKM
Hydrochloric Acid SCHEMBL959126 0.82 CPT1A (0.41) CPT1ACPT1BELANEMCL1F2RL3
SCHEMBL961017 0.81 ELANE (0.46) CPT1ACPT1BELANEMCL1KDM4E
SCHEMBL958863 0.80 CPT1A (0.72) CPT1ACPT1BCNR1
SCHEMBL958866 0.79 CPT1A (0.54) CPT1ACPT1BMAPT
SCHEMBL959272 0.79 CPT1A (0.41) CPT1ACPT1BELANEMCL1F2RL3
SCHEMBL960379 0.78 CPT1A (0.74) 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 2/4885ELANE 1677/4885
US-20110015234-A1 INDAZOLE DERIVATIVES CPT1A, CPT1B, CES1 CPT1A 1/4885CPT1B 2/4885ELANE 1677/4885

“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.