SCHEMBL959272

SCHEMBL959272

CCOC(=O)c1nn(Cc2ccc(OC(F)F)cc2)c2cc(CNS(C)(=O)=O)ccc12

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 4/20 0.41
CPT1B Q92523 4/20 0.41
ELANE P08246 7/20 0.37
CPT2 P23786 1/20 0.37
MCL1 Q07820 1/20 0.36
PTGER4 P35408 2/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
SLC22A12 Q96S37 1/20 0.35
RORC P51449 1/20 0.35
F2RL3 Q96RI0 1/20 0.35
P2RX7 Q99572 1/20 0.34

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
SCHEMBL958457 0.89 CPT1A (0.47) CPT1ACPT1BCPT2MCL1PTGER4
SCHEMBL959127 0.85 CPT1A (0.42) CPT1ACPT1BELANECPT2MCL1
Hydrochloric Acid SCHEMBL959126 0.84 CPT1A (0.41) CPT1ACPT1BELANECPT2MCL1
SCHEMBL959087 0.84 CPT1A (0.42) CPT1ACPT1BELANECPT2PTGER4
SCHEMBL961017 0.81 ELANE (0.46) CPT1ACPT1BELANECPT2MCL1
SCHEMBL961246 0.79 CPT1A (0.58) CPT1ACPT1BELANEMCL1F2RL3
SCHEMBL959086 0.78 CPT1A (0.38) CPT1ACPT1BELANECPT2MCL1
SCHEMBL958438 0.77 CPT1A (0.53) CPT1ACPT1BCPT2PTGER4RORC
SCHEMBL958455 0.72 CPT1A (0.44) CPT1ACPT1BCPT2MCL1PTGER4
SCHEMBL3778189 0.70 CPT1A (0.54) CPT1ACPT1BCPT2MCL1PTGER4

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.