SCHEMBL958271

SCHEMBL958271

O=C(O)c1nn(Cc2cccc(C(F)(F)F)c2)c2ccc(F)cc12

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 4/20 0.58
CPT1A P50416 1/20 0.52
KDM4C Q9H3R0 1/20 0.46
P2RY14 Q15391 1/20 0.46
GRIN1 Q05586 1/20 0.45
GRIN2B Q13224 1/20 0.45
ICMT O60725 1/20 0.45
KCNK3 O14649 1/20 0.44
ABHD6 Q9BV23 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
MCL1 Q07820 1/20 0.43
MAPT P10636 2/20 0.43
SCN9A Q15858 1/20 0.43
THRB P10828 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPK10 P53779 1/20 0.43

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
SCHEMBL30016260 0.90 PTGER4 (0.55) PTGER4CPT1AKDM4CP2RY14GRIN1
SCHEMBL3781575 0.87 PTGER4 (0.73) PTGER4CPT1AP2RY14MAPTMAPK10
SCHEMBL959257 0.86 PTGER4 (0.65) PTGER4CPT1AP2RY14MAPTSMN1; SMN2
SCHEMBL959635 0.86 ELANE (0.54) PTGER4CPT1AABHD6AKR1C3AKR1C2
SCHEMBL1049340 0.80 PTGER4 (0.45) PTGER4KCNK3SCN9A
SCHEMBL24273099 0.79 MCL1 (0.61) PTGER4CPT1AKDM4CMCL1MAPT
SCHEMBL1047619 0.78 CYP1A2 (0.55) PTGER4MCL1SCN9A
SCHEMBL31429506 0.77 KDM4C (0.56) KDM4CMCL1SCN9A
SCHEMBL14584154 0.77 SLC22A12 (0.52) MCL1
SCHEMBL957678 0.76 CPT1A (0.51) PTGER4CPT1AICMTKCNK3AKR1C3

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 12 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 claimed
EP-2079703-A1 INDAZOLE DERIVATIVES USEFUL AS L-CPT1 INHIBITORS F. Hoffmann-Roche AG (CH) 2009-07-22 EP claimed
WO-2008052898-A1 INDAZOLE DERIVATIVES USEFUL AS L-CPT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-05-08 WO claimed
US-20080103182-A1 INDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2008-05-01 US claimed
CN-101528708-B Indazole derivatives useful as l-cpt1 inhibitors HOFFMANN LA ROCHE 2012-01-04 CN disclosed
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
CN-101528708-A Indazole derivatives useful as L-CPT1 inhibitors HOFFMANN LA ROCHE (CH) 2009-09-09 CN 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 PTGER4 1048/4885CPT1A 1/4885KDM4C 2698/4885
US-20110015234-A1 INDAZOLE DERIVATIVES CPT1A, CPT1B, CES1 PTGER4 1048/4885CPT1A 1/4885KDM4C 2698/4885

“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.